ChemSpider 2D Image | 1-Benzyl 2-ethyl (2S)-4-oxo-1,2-piperidinedicarboxylate | C16H19NO5

1-Benzyl 2-ethyl (2S)-4-oxo-1,2-piperidinedicarboxylate

  • Molecular FormulaC16H19NO5
  • Average mass305.326 Da
  • Monoisotopic mass305.126312 Da
  • ChemSpider ID30988334

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Oxo-1,2-pipéridinedicarboxylate de 1-benzyle et de 2-éthyle [French] [ACD/IUPAC Name]
1,2-Piperidinedicarboxylic acid, 4-oxo-, 2-ethyl 1-(phenylmethyl) ester, (2S)- [ACD/Index Name]
1389251-05-1 [RN]
1-Benzyl 2-ethyl (2S)-4-oxo-1,2-piperidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl 2-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate
1-Benzyl-2-ethyl-(2S)-4-oxo-1,2-piperidindicarboxylat [German] [ACD/IUPAC Name]
(S)-1-Benzyl 2-ethyl 4-oxopiperidine-1,2-dicarboxylate
(S)-1-Cbz-4-oxo-piperidine-2-carboxylic acid methyl ester
(S)-1-Cbz-4-oxopiperidine-2-carboxylic acid, methyl ester
1-O-benzyl 2-O-ethyl (2S)-4-oxopiperidine-1,2-dicarboxylate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 446.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 223.8±28.7 °C
    Index of Refraction: 1.544
    Molar Refractivity: 77.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.53
    ACD/LogD (pH 5.5): 2.00
    ACD/BCF (pH 5.5): 19.41
    ACD/KOC (pH 5.5): 290.84
    ACD/LogD (pH 7.4): 2.00
    ACD/BCF (pH 7.4): 19.41
    ACD/KOC (pH 7.4): 290.84
    Polar Surface Area: 73 Å2
    Polarizability: 30.8±0.5 10-24cm3
    Surface Tension: 50.0±3.0 dyne/cm
    Molar Volume: 246.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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