ChemSpider 2D Image | (3S,4S)-1-[(1-Cyanocyclopropyl)methyl]-4-methyl-3-pyrrolidinecarboxylic acid | C11H16N2O2

(3S,4S)-1-[(1-Cyanocyclopropyl)methyl]-4-methyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC11H16N2O2
  • Average mass208.257 Da
  • Monoisotopic mass208.121185 Da
  • ChemSpider ID72828034

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4S)-1-[(1-Cyancyclopropyl)methyl]-4-methyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S,4S)-1-[(1-Cyanocyclopropyl)methyl]-4-methyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[(1-cyanocyclopropyl)methyl]-4-methyl-, (3S,4S)- [ACD/Index Name]
Acide (3S,4S)-1-[(1-cyanocyclopropyl)méthyl]-4-méthyl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 382.3±27.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 69.2±6.0 kJ/mol
Flash Point: 185.0±23.7 °C
Index of Refraction: 1.554
Molar Refractivity: 54.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.06
ACD/LogD (pH 5.5): -1.85
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 64 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 54.9±5.0 dyne/cm
Molar Volume: 169.6±5.0 cm3

Click to predict properties on the Chemicalize site


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