ChemSpider 2D Image | Ethyl (3S)-1-benzyl-4-oxo-3-pyrrolidinecarboxylate | C14H17NO3

Ethyl (3S)-1-benzyl-4-oxo-3-pyrrolidinecarboxylate

  • Molecular FormulaC14H17NO3
  • Average mass247.290 Da
  • Monoisotopic mass247.120850 Da
  • ChemSpider ID114452272

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Benzyl-4-oxo-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 4-oxo-1-(phenylmethyl)-, ethyl ester, (3S)- [ACD/Index Name]
Ethyl (3S)-1-benzyl-4-oxo-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3S)-1-benzyl-4-oxo-3-pyrrolidincarboxylat [German] [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: 358.1±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.4±3.0 kJ/mol
Flash Point: 170.4±27.9 °C
Index of Refraction: 1.554
Molar Refractivity: 66.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 9.25
ACD/KOC (pH 5.5): 168.37
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 9.78
ACD/KOC (pH 7.4): 177.98
Polar Surface Area: 47 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 48.1±3.0 dyne/cm
Molar Volume: 208.7±3.0 cm3

Click to predict properties on the Chemicalize site


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