ChemSpider 2D Image | (3S)-1-(2,4-Dimethoxybenzyl)-5-oxo-3-pyrrolidinecarboxylic acid | C14H17NO5

(3S)-1-(2,4-Dimethoxybenzyl)-5-oxo-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC14H17NO5
  • Average mass279.289 Da
  • Monoisotopic mass279.110687 Da
  • ChemSpider ID34979778

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-(2,4-Dimethoxybenzyl)-5-oxo-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S)-1-(2,4-Dimethoxybenzyl)-5-oxo-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 1-[(2,4-dimethoxyphenyl)methyl]-5-oxo-, (3S)- [ACD/Index Name]
Acide (3S)-1-(2,4-diméthoxybenzyl)-5-oxo-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3S)-1-[(2,4-Dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
(S)-1-(2,4-Dimethoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
755025-16-2 [RN]
Chemistry 17801
MFCD28001381

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 525.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.2±3.0 kJ/mol
    Flash Point: 271.8±30.1 °C
    Index of Refraction: 1.573
    Molar Refractivity: 70.8±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.35
    ACD/LogD (pH 5.5): -0.37
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.16
    ACD/LogD (pH 7.4): -2.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 28.1±0.5 10-24cm3
    Surface Tension: 54.4±3.0 dyne/cm
    Molar Volume: 214.8±3.0 cm3

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