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Search term: QVGUCCHRJMBKNX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ethyl (3S,4R)-2-oxo-4-phenyl-3-pyrrolidinecarboxylate | C13H15NO3

Ethyl (3S,4R)-2-oxo-4-phenyl-3-pyrrolidinecarboxylate

  • Molecular FormulaC13H15NO3
  • Average mass233.263 Da
  • Monoisotopic mass233.105194 Da
  • ChemSpider ID32790111

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3S,4R)-2-Oxo-4-phényl-3-pyrrolidinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 2-oxo-4-phenyl-, ethyl ester, (3S,4R)- [ACD/Index Name]
Ethyl (3S,4R)-2-oxo-4-phenyl-3-pyrrolidinecarboxylate [ACD/IUPAC Name]
Ethyl-(3S,4R)-2-oxo-4-phenyl-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: 418.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.2±3.0 kJ/mol
Flash Point: 206.8±28.7 °C
Index of Refraction: 1.533
Molar Refractivity: 62.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 6.58
ACD/KOC (pH 5.5): 134.12
ACD/LogD (pH 7.4): 1.38
ACD/BCF (pH 7.4): 6.58
ACD/KOC (pH 7.4): 134.12
Polar Surface Area: 55 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 199.5±3.0 cm3

Click to predict properties on the Chemicalize site


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