ChemSpider 2D Image | 1-Benzyl 2-(2-methyl-2-propanyl) (2R)-5-oxo-1,2-pyrrolidinedicarboxylate | C17H21NO5

1-Benzyl 2-(2-methyl-2-propanyl) (2R)-5-oxo-1,2-pyrrolidinedicarboxylate

  • Molecular FormulaC17H21NO5
  • Average mass319.352 Da
  • Monoisotopic mass319.141968 Da
  • ChemSpider ID32786927

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-5-Oxo-1,2-pyrrolidinedicarboxylate de 1-benzyle et de 2-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,2-Pyrrolidinedicarboxylic acid, 5-oxo-, 2-(1,1-dimethylethyl) 1-(phenylmethyl) ester, (2R)- [ACD/Index Name]
1-Benzyl 2-(2-methyl-2-propanyl) (2R)-5-oxo-1,2-pyrrolidinedicarboxylate [ACD/IUPAC Name]
1-Benzyl-2-(2-methyl-2-propanyl)-(2R)-5-oxo-1,2-pyrrolidindicarboxylat [German] [ACD/IUPAC Name]
(R)-1-Benzyl 2-tert-butyl 5-oxopyrrolidine-1,2-dic
(R)-1-benzyl 2-tert-butyl 5-oxopyrrolidine-1,2-dicarboxylate
125134-29-4 [RN]
1-benzyl 2-tert-butyl (2R)-5-oxopyrrolidine-1,2-dicarboxylate
MFCD11975831
z-d-pyr-otbu

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 470.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 73.3±3.0 kJ/mol
    Flash Point: 238.1±28.7 °C
    Index of Refraction: 1.542
    Molar Refractivity: 82.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.65
    ACD/KOC (pH 5.5): 633.82
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.65
    ACD/KOC (pH 7.4): 633.82
    Polar Surface Area: 73 Å2
    Polarizability: 32.7±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 261.8±3.0 cm3

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