ChemSpider 2D Image | (R)-Oxiracetam | C6H10N2O3

(R)-Oxiracetam

  • Molecular FormulaC6H10N2O3
  • Average mass158.155 Da
  • Monoisotopic mass158.069138 Da
  • ChemSpider ID2313838

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-4-Hydroxy-2-oxo-1-pyrrolidineacetamide
(R)-Oxiracetam
1-Pyrrolidineacetamide, 4-hydroxy-2-oxo-, (4R)- [ACD/Index Name]
2-[(4R)-4-Hydroxy-2-oxo-1-pyrrolidinyl]acetamid [German] [ACD/IUPAC Name]
2-[(4R)-4-Hydroxy-2-oxo-1-pyrrolidinyl]acetamide [ACD/IUPAC Name]
2-[(4R)-4-Hydroxy-2-oxo-1-pyrrolidinyl]acétamide [French] [ACD/IUPAC Name]
68252-28-8 [RN]
(4S)-4-Hydroxy-2-oxo-1-pyrrolidineacetamide
(R)-(+)-Oxiracetam
(R)-2-(4-hydroxy-2-oxopyrrolidin-1-yl)acetamide
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      (R)-Oxiracetam is the (R)-enantiomer of the nootropic drug oxiracetam. MedChem Express http://www.medchemexpress.com/Methasulfocarb.html, HY-17554
      (R)-Oxiracetam is the (R)-enantiomer of the nootropic drug oxiracetam. Oxiracetam (ISF 2522) is a nootropic drug of the racetam family and stimulant.;IC50 value:;Target: nootropic drugOxiracetam (ISF 2522) is a nootropic drug of the racetam family and stimulant.[1][2] Several animal studies suggest that the substance is safe even when high doses are consumed for a long period of time.[medical citation needed] However, the mechanism of action of the racetam drug family is still a matter of research. Oxiracetam is not approved by Food and Drug Administration for any medical use in the United States. MedChem Express HY-17554
      Others MedChem Express HY-17554

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 494.6±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 252.9±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 36.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -2.48
ACD/LogD (pH 5.5): -1.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.05
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.05
Polar Surface Area: 84 Å2
Polarizability: 14.5±0.5 10-24cm3
Surface Tension: 69.3±3.0 dyne/cm
Molar Volume: 111.6±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) =  -2.94

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  387.16  (Adapted Stein & Brown method)
    Melting Pt (deg C):  159.89  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  1.82E-008  (Modified Grain method)
    Subcooled liquid VP: 4.4E-007 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):  1e+006
       log Kow used: -2.94 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   5.54E-015  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  3.788E-015 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -2.94  (KowWin est)
  Log Kaw used:  -12.645  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  9.705
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   1.2513
   Biowin2 (Non-Linear Model)     :   0.9993
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.9012  (weeks       )
   Biowin4 (Primary Survey Model) :   4.1599  (days        )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.7573
   Biowin6 (MITI Non-Linear Model):   0.8189
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.3415
 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):  5.87E-005 Pa (4.4E-007 mm Hg)
  Log Koa (Koawin est  ): 9.705
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  0.0511 
       Octanol/air (Koa) model:  0.00124 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.649 
       Mackay model           :  0.804 
       Octanol/air (Koa) model:  0.0905 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.4238 E-12 cm3/molecule-sec
      Half-Life =     0.241 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.889 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.726 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  10
      Log Koc:  1.000 

 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: -2.94 (estimated)

 Volatilization from Water:
    Henry LC:  5.54E-015 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 1.329E+011  hours   (5.538E+009 days)
    Half-Life from Model Lake :  1.45E+012  hours   (6.041E+010 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       4.3e-007        5.78         1000       
   Water     39              360          1000       
   Soil      60.9            720          1000       
   Sediment  0.0713          3.24e+003    0          
     Persistence Time: 579 hr

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