ChemSpider 2D Image | (4S)-4-Amino-1-benzoyl-L-proline | C12H14N2O3

(4S)-4-Amino-1-benzoyl-L-proline

  • Molecular FormulaC12H14N2O3
  • Average mass234.251 Da
  • Monoisotopic mass234.100449 Da
  • ChemSpider ID23960617

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,4S)-4-AMINO-1-BENZOYL-PYRROLIDINE-2-CARBOXYLIC ACID
(4S)-4-Amino-1-benzoyl-L-prolin [German] [ACD/IUPAC Name]
(4S)-4-Amino-1-benzoyl-L-proline [ACD/IUPAC Name]
(4S)-4-Amino-1-benzoyl-L-proline [French] [ACD/IUPAC Name]
176439-44-4 [RN]
L-Proline, 4-amino-1-benzoyl-, (4S)- [ACD/Index Name]
MFCD03788065 [MDL number]
(2S,4S)-4-amino-1-(phenylcarbonyl)pyrrolidine-2-carboxylic acid
(2S,4S)-4-Amino-1-benzoylpyrrolidine-2-carboxylic acid
(2s,4s)-4-amino-1-benzoyl-pyrrolidine-2-carboxylicacid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 462.7±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.3±3.0 kJ/mol
    Flash Point: 233.6±28.7 °C
    Index of Refraction: 1.611
    Molar Refractivity: 61.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.98
    ACD/LogD (pH 5.5): -2.77
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.77
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 24.3±0.5 10-24cm3
    Surface Tension: 61.2±3.0 dyne/cm
    Molar Volume: 176.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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