ChemSpider 2D Image | 1-Benzyl 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate | C15H17NO5

1-Benzyl 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC15H17NO5
  • Average mass291.299 Da
  • Monoisotopic mass291.110687 Da
  • ChemSpider ID23960403

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-5-Oxo-1,2-pyrrolidinedicarboxylate de 1-benzyle et de 2-éthyle [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 2-ethyl 1-(phenylmethyl) ester, (2S)- [ACD/Index Name]
1-Benzyl 2-ethyl (2S)-5-oxo-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-2-ethyl-(2S)-5-oxo-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(S)-1-Benzyl 2-ethyl 5-oxopyrrolidine-1,2-dicarboxylate
1-Benzyl 2-ethyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
1-benzyl 2-ethyl (S)-5-oxopyrrolidine-1,2-dicarboxylate
270065-52-6 [RN]
CBZ-PYR-OET
MFCD07778092 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 461.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.3±3.0 kJ/mol
    Flash Point: 233.0±28.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 73.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.64
    ACD/LogD (pH 5.5): 1.71
    ACD/BCF (pH 5.5): 11.68
    ACD/KOC (pH 5.5): 202.19
    ACD/LogD (pH 7.4): 1.71
    ACD/BCF (pH 7.4): 11.68
    ACD/KOC (pH 7.4): 202.19
    Polar Surface Area: 73 Å2
    Polarizability: 29.0±0.5 10-24cm3
    Surface Tension: 52.4±3.0 dyne/cm
    Molar Volume: 228.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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