ChemSpider 2D Image | N-{[1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl-L-alanine | C17H20FN3O5

N-{[1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl-L-alanine

  • Molecular FormulaC17H20FN3O5
  • Average mass365.356 Da
  • Monoisotopic mass365.138702 Da
  • ChemSpider ID22880142

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Alanine, N-[[1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl]-L-alanyl- [ACD/Index Name]
N-{[1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl-L-alanine [ACD/IUPAC Name]
N-{[1-(4-Fluorophényl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl-L-alanine [French] [ACD/IUPAC Name]
N-{[1-(4-Fluorphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl-L-alanin [German] [ACD/IUPAC Name]
(2S)-2-((2S)-2-(1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamido)propanamido)propanoic acid
2-(2-{[1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-amino}-propionylamino)-propionic acid
N-{[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-alanyl-L-alanine

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 789.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.9 mmHg at 25°C
    Enthalpy of Vaporization: 120.5±3.0 kJ/mol
    Flash Point: 431.4±32.9 °C
    Index of Refraction: 1.566
    Molar Refractivity: 87.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.16
    ACD/LogD (pH 5.5): -2.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -3.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 116 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 56.6±3.0 dyne/cm
    Molar Volume: 268.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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