ChemSpider 2D Image | ACPC | C4H7NO2

ACPC

  • Molecular FormulaC4H7NO2
  • Average mass101.104 Da
  • Monoisotopic mass101.047676 Da
  • ChemSpider ID520

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-Amino-1-carboxycyclopropane
1-Amino-1-cyclopropanecarboxylic acid
1-Aminocyclopropancarbonsäure [German] [ACD/IUPAC Name]
1-aminocyclopropane-1-carboxylate
1-Aminocyclopropane-1-carboxylic acid
1-Aminocyclopropanecarboxylic acid [ACD/IUPAC Name]
1-Aminocycropropane-1-carboxylic acid
22059-21-8 [RN]
Acide 1-aminocyclopropanecarboxylique [French] [ACD/IUPAC Name]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3K9EJ633GL [DBID]
GZ1110000 [DBID]
A3903_SIGMA [DBID]
Biomol-NT_000194 [DBID]
BPBio1_001220 [DBID]
BR-26748 [DBID]
BRN 2076413 [DBID]
BSPBio_003189 [DBID]
C01234 [DBID]
CB 1703 [DBID]
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous
    • Appearance:

      white powder Novochemy [NC-01927]
    • Safety:

      20/21/36/37/39 Novochemy [NC-01927]
      36/37/38 Novochemy [NC-01927]
      GHS07; GHS09 Novochemy [NC-01927]
      H304; H332; H403 Novochemy [NC-01927]
      IRRITANT Matrix Scientific 073019
      Irritant SynQuest 4257-1-X0, 68455
      Irritant/Hygroscopic/Store under Argon/Store at -20?C SynQuest 4257-1-X0
      P305+P351+P338; P376; P270 Novochemy [NC-01927]
      R22 Novochemy [NC-01927]
      Warning Novochemy [NC-01927]
      Xi Abblis Chemicals AB1001401
    • Chemical Class:

      A non-proteinogenic <locant>alpha</locant>-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. ChEBI CHEBI:18053, CHEBI:58360
      A non-proteinogenic alpha-amino acid consisting of cyclopropane having amino and carboxy substituents both at the 1-position. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:18053
      An amino acid zwitterion arising from transfer of a proton from the carboxy to the amino group of 1-aminocyclopropanecarboxylic acid; major species at pH 7.3. ChEBI CHEBI:18053, CHEBI:58360, https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:58360
    • Drug Status:

      experimental Microsource [01502130]
    • Compound Source:

      1-aminocyclopropane-1-carboxylate + H2O -> ammonium + 2-oxobutanoate PlantCyc CPD-68
      Aegilops tauschii PlantCyc CPD-68
      Amaranthus hypochondriacus PlantCyc CPD-68
      Amborella trichopoda PlantCyc CPD-68
      Anacardium occidentale PlantCyc CPD-68
      Ananas comosus PlantCyc CPD-68
      Aquilegia coerulea PlantCyc CPD-68
      Arabidopsis halleri PlantCyc CPD-68
      Arabidopsis lyrata PlantCyc CPD-68
      Arabidopsis thaliana col PlantCyc CPD-68
      Asparagus officinalis PlantCyc CPD-68
      Beta vulgaris subsp. vulgaris PlantCyc CPD-68
      Boechera stricta PlantCyc CPD-68
      Brachypodium distachyon PlantCyc CPD-68
      Brassica napus PlantCyc CPD-68
      Brassica oleracea var. capitata PlantCyc CPD-68
      Brassica oleracea var. oleracea PlantCyc CPD-68
      Brassica rapa FPsc PlantCyc CPD-68
      Brassica rapa subsp. pekinensis PlantCyc CPD-68
      Calotropis gigantea PlantCyc CPD-68
      Camptotheca acuminata PlantCyc CPD-68
      Cannabis sativa PlantCyc CPD-68
      Capsella grandiflora PlantCyc CPD-68
      Capsella rubella PlantCyc CPD-68
      Capsicum annuum PlantCyc CPD-68
      Carica papaya PlantCyc CPD-68
      Catharanthus roseus PlantCyc CPD-68
      Chenopodium quinoa PlantCyc CPD-68
      Chlamydomonas reinhardtii PlantCyc CPD-68
      Cicer arietinum PlantCyc CPD-68
      Citrus clementina PlantCyc CPD-68
      Citrus sinensis PlantCyc CPD-68
      Corchorus capsularis PlantCyc CPD-68
      Cucumis sativus PlantCyc CPD-68
      Daucus carota subsp. sativus PlantCyc CPD-68
      Dianthus caryophyllus PlantCyc CPD-68
      Dioscorea rotundata PlantCyc CPD-68
      ethylene biosynthesis I (plants) PlantCyc CPD-68
      Eucalyptus grandis PlantCyc CPD-68
      Eutrema salsugineum PlantCyc CPD-68
      Fragaria vesca subsp. vesca PlantCyc CPD-68
      Glycine max PlantCyc CPD-68
      Gossypium raimondii PlantCyc CPD-68
      Helianthus annuus PlantCyc CPD-68
      Hordeum vulgare subsp. vulgare PlantCyc CPD-68
      Humulus lupulus var. lupulus PlantCyc CPD-68
      jasmonoyl-amino acid conjugates biosynthesis I PlantCyc CPD-68
      Kalanchoe fedtschenkoi PlantCyc CPD-68
      Kalanchoe laxiflora PlantCyc CPD-68
      Leersia perrieri PlantCyc CPD-68
      Linum usitatissimum PlantCyc CPD-68
      L-methionine salvage cycle II (plants) PlantCyc CPD-68
      Lotus japonicus PlantCyc CPD-68
      Malus domestica PlantCyc CPD-68
      Manihot esculenta PlantCyc CPD-68
      Marchantia polymorpha PlantCyc CPD-68
      Medicago truncatula PlantCyc CPD-68
      Mimulus guttatus PlantCyc CPD-68
      Miscanthus sinensis PlantCyc CPD-68
      Musa acuminata PlantCyc CPD-68
      Nicotiana tabacum PlantCyc CPD-68
      Olea europaea var. sylvestris PlantCyc CPD-68
      Oropetium thomaeum PlantCyc CPD-68
      Oryza brachyantha PlantCyc CPD-68
      Oryza glaberrima PlantCyc CPD-68
      Oryza punctata PlantCyc CPD-68
      Oryza rufipogon PlantCyc CPD-68
      Oryza sativa Japonica Group PlantCyc CPD-68
      Panicum hallii PlantCyc CPD-68
      Panicum virgatum PlantCyc CPD-68
      Petunia axillaris PlantCyc CPD-68
      Phaseolus vulgaris PlantCyc CPD-68
      Physcomitrella patens PlantCyc CPD-68
      Populus trichocarpa PlantCyc CPD-68
      Prunus persica PlantCyc CPD-68
      Ricinus communis PlantCyc CPD-68
      Rosa chinensis PlantCyc CPD-68
      Rosa multiflora PlantCyc CPD-68
      Salvia miltiorrhiza PlantCyc CPD-68
      Selaginella moellendorffii PlantCyc CPD-68
      Setaria italica PlantCyc CPD-68
      Setaria viridis PlantCyc CPD-68
      Solanum lycopersicum PlantCyc CPD-68
      Solanum melongena PlantCyc CPD-68
      Solanum pennellii PlantCyc CPD-68
      Solanum tuberosum PlantCyc CPD-68
      Sorghum bicolor PlantCyc CPD-68
      Sphagnum fallax PlantCyc CPD-68
      Spinacia oleracea PlantCyc CPD-68
      Spirodela polyrhiza PlantCyc CPD-68
      synthetic; ACPC Microsource [01502130]
      Thellungiella parvula PlantCyc CPD-68
      Theobroma cacao PlantCyc CPD-68
      Trifolium pratense PlantCyc CPD-68
      Triticum aestivum PlantCyc CPD-68
      Triticum urartu PlantCyc CPD-68
      Vitis vinifera PlantCyc CPD-68
      Zea mays subsp. mays PlantCyc CPD-68
      Zostera marina PlantCyc CPD-68
    • Bio Activity:

      1-aminocyclopropane-1-carboxylate -> (2Z)-2-aminobut-2-enoate + H+ PlantCyc CPD-68
      a jasmonate + 1-aminocyclopropane-1-carboxylate + ATP -> a jasmonoyl-1-aminocyclopropane-1 carboxylate + AMP + diphosphate + H+ PlantCyc CPD-68
      L-ascorbate + 1-aminocyclopropane-1-carboxylate + H+ + oxygen -> ethene + L-dehydro-ascorbate + hydrogen cyanide + CO2 + 2 H2O PlantCyc CPD-68
      S-adenosyl-L-methionine -> S-methyl-5'-thioadenosine + 1-aminocyclopropane-1-carboxylate + H+ PlantCyc CPD-68
  • Gas Chromatography

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 228.9±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 51.3±6.0 kJ/mol
Flash Point: 92.2±22.6 °C
Index of Refraction: 1.568
Molar Refractivity: 23.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -1.18
ACD/LogD (pH 5.5): -3.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 63 Å2
Polarizability: 9.3±0.5 10-24cm3
Surface Tension: 72.7±3.0 dyne/cm
Molar Volume: 71.5±3.0 cm3

Predicted data is generated using the US Environmental Protection Agency’s EPISuite™

                        
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -2.65
    Log Kow (Exper. database match) =  -2.78
       Exper. Ref:  Tsai,RS et al. (1991)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  394.73  (Adapted Stein & Brown method)
    Melting Pt (deg C):  291.59  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.21E-008  (Modified Grain method)
    Subcooled liquid VP: 1.12E-005 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.338e+005
       log Kow used: -2.78 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  2.0586e+005 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Aliphatic Amines-acid

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   8.74E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  6.885E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.78  (exp database)
  Log Kaw used:  -7.447  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  4.667
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.7420
   Biowin2 (Non-Linear Model)     :   0.8324
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   3.1527  (weeks       )
   Biowin4 (Primary Survey Model) :   3.9773  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7329
   Biowin6 (MITI Non-Linear Model):   0.7907
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.6259
 Ready Biodegradability Prediction:   YES

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  0.00149 Pa (1.12E-005 mm Hg)
  Log Koa (Koawin est  ): 4.667
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.00201 
       Octanol/air (Koa) model:  1.14E-008 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.0677 
       Mackay model           :  0.138 
       Octanol/air (Koa) model:  9.12E-007 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  21.5765 E-12 cm3/molecule-sec
      Half-Life =     0.496 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     5.949 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.103 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  1
      Log Koc:  0.000 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 0.500 (BCF = 3.162)
       log Kow used: -2.78 (expkow database)

 Volatilization from Water:
    Henry LC:  8.74E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 6.736E+005  hours   (2.807E+004 days)
    Half-Life from Model Lake : 7.348E+006  hours   (3.062E+005 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0237          11.9         1000       
   Water     39.1            360          1000       
   Soil      60.8            720          1000       
   Sediment  0.0716          3.24e+003    0          
     Persistence Time: 573 hr




                    

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