ChemSpider 2D Image | Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-4-(benzoylamino)prolinate | C20H27N3O6

Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-4-(benzoylamino)prolinate

  • Molecular FormulaC20H27N3O6
  • Average mass405.445 Da
  • Monoisotopic mass405.189972 Da
  • ChemSpider ID24615166

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

943134-40-5 [RN]
Methyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-4-(benzoylamino)prolinate [ACD/IUPAC Name]
Methyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}glycyl-4-(benzoylamino)prolinat [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}glycyl-4-(benzoylamino)prolinate de méthyle [French] [ACD/IUPAC Name]
Proline, N-[(1,1-dimethylethoxy)carbonyl]glycyl-4-(benzoylamino)-, methyl ester [ACD/Index Name]
(2S,4R)-methyl 4-benzamido-1-(2-((tert-butoxycarbonyl)amino)acetyl)pyrrolidine-2-carboxylate
CS-14537
methyl (2s,4r)-4-benzamido-1-((tert-butoxycarbonyl)glycyl)pyrrolidine-2-carboxylate
MFCD25372068

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 634.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.8±3.0 kJ/mol
    Flash Point: 337.5±31.5 °C
    Index of Refraction: 1.560
    Molar Refractivity: 104.6±0.4 cm3
    #H bond acceptors: 9
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 1.51
    ACD/LogD (pH 5.5): 1.64
    ACD/BCF (pH 5.5): 10.32
    ACD/KOC (pH 5.5): 184.97
    ACD/LogD (pH 7.4): 1.64
    ACD/BCF (pH 7.4): 10.32
    ACD/KOC (pH 7.4): 184.96
    Polar Surface Area: 114 Å2
    Polarizability: 41.5±0.5 10-24cm3
    Surface Tension: 52.8±5.0 dyne/cm
    Molar Volume: 323.4±5.0 cm3

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