ChemSpider 2D Image | N-{[1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-valylproline | C21H26FN3O5

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

  • Molecular FormulaC21H26FN3O5
  • Average mass419.447 Da
  • Monoisotopic mass419.185638 Da
  • ChemSpider ID22880001

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

N-{[1-(4-Fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-valylproline [ACD/IUPAC Name]
N-{[1-(4-Fluorophényl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-valylproline [French] [ACD/IUPAC Name]
N-{[1-(4-Fluorphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-valylprolin [German] [ACD/IUPAC Name]
Proline, N-[[1-(4-fluorophenyl)-5-oxo-3-pyrrolidinyl]carbonyl]-L-valyl- [ACD/Index Name]
1-((2S)-2-(1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamido)-3-methylbutanoyl)pyrrolidine-2-carboxylic acid
1-(2-{[1-(4-Fluoro-phenyl)-5-oxo-pyrrolidine-3-carbonyl]-amino}-3-methyl-butyryl)-pyrrolidine-2-carboxylic acid
N-{[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-valylproline

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 771.7±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 117.8±3.0 kJ/mol
    Flash Point: 420.5±32.9 °C
    Index of Refraction: 1.577
    Molar Refractivity: 103.8±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.96
    ACD/LogD (pH 5.5): -1.22
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.70
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 41.2±0.5 10-24cm3
    Surface Tension: 57.7±3.0 dyne/cm
    Molar Volume: 313.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement