ChemSpider 2D Image | Ethyl 4-(N-{[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl)-1-piperazinecarboxylate | C22H30N4O6

Ethyl 4-(N-{[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl)-1-piperazinecarboxylate

  • Molecular FormulaC22H30N4O6
  • Average mass446.497 Da
  • Monoisotopic mass446.216522 Da
  • ChemSpider ID22879930

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1-Piperazinecarboxylic acid, 4-[(2S)-2-[[[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl]amino]-1-oxopropyl]-, ethyl ester [ACD/Index Name]
4-(N-{[1-(4-Méthoxyphényl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl)-1-pipérazinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-(N-{[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl)-1-piperazinecarboxylate [ACD/IUPAC Name]
Ethyl-4-(N-{[1-(4-methoxyphenyl)-5-oxo-3-pyrrolidinyl]carbonyl}-L-alanyl)-1-piperazincarboxylat [German] [ACD/IUPAC Name]
1014043-33-4 [RN]
ethyl 4-(N-{[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbonyl}-L-alanyl)piperazine-1-carboxylate
ethyl 4-[(2S)-2-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoyl]piperazine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 764.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 111.3±3.0 kJ/mol
    Flash Point: 416.2±32.9 °C
    Index of Refraction: 1.566
    Molar Refractivity: 114.3±0.3 cm3
    #H bond acceptors: 10
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 1
    ACD/LogP: 1.15
    ACD/LogD (pH 5.5): 0.78
    ACD/BCF (pH 5.5): 2.32
    ACD/KOC (pH 5.5): 63.46
    ACD/LogD (pH 7.4): 0.78
    ACD/BCF (pH 7.4): 2.32
    ACD/KOC (pH 7.4): 63.46
    Polar Surface Area: 108 Å2
    Polarizability: 45.3±0.5 10-24cm3
    Surface Tension: 53.7±3.0 dyne/cm
    Molar Volume: 350.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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