ChemSpider 2D Image | 1-[(2R)-2-Butanyl]-5-oxo-3-pyrrolidinecarboxylic acid | C9H15NO3

1-[(2R)-2-Butanyl]-5-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC9H15NO3
  • Average mass185.220 Da
  • Monoisotopic mass185.105194 Da
  • ChemSpider ID60602938

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-[(2R)-2-Butanyl]-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
1-[(2R)-2-Butanyl]-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[(1R)-1-methylpropyl]-5-oxo- [ACD/Index Name]
Acide 1-[(2R)-2-butanyl]-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
845546-29-4 [RN]
MFCD18071292

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 67.3±6.0 kJ/mol
Flash Point: 175.6±25.9 °C
Index of Refraction: 1.507
Molar Refractivity: 46.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.35
ACD/LogD (pH 5.5): -0.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 157.1±3.0 cm3

Click to predict properties on the Chemicalize site


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