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Search term: KKCBZCHLCHUXCW-UITAMQMPSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-{[(2-Isopropyl-2-methylcyclopropyl)carbonyl]amino}-2-butenoic acid | C12H19NO3

(2Z)-2-{[(2-Isopropyl-2-methylcyclopropyl)carbonyl]amino}-2-butenoic acid

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID23111465

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[(2-Isopropyl-2-methylcyclopropyl)carbonyl]amino}-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-{[(2-Isopropyl-2-methylcyclopropyl)carbonyl]amino}-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-[[[2-methyl-2-(1-methylethyl)cyclopropyl]carbonyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-{[(2-isopropyl-2-méthylcyclopropyl)carbonyl]amino}-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-2-({[2-methyl-2-(propan-2-yl)cyclopropyl]carbonyl}amino)but-2-enoic acid
2-[(2-Isopropyl-2-methyl-cyclopropanecarbonyl)-amino]-but-2-enoic acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274418/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 428.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±6.0 kJ/mol
Flash Point: 212.7±26.5 °C
Index of Refraction: 1.512
Molar Refractivity: 60.5±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 0.77
ACD/BCF (pH 5.5): 1.02
ACD/KOC (pH 5.5): 13.75
ACD/LogD (pH 7.4): -0.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 201.4±3.0 cm3

Click to predict properties on the Chemicalize site


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