ChemSpider 2D Image | ethyl (3-(((benzyloxy)carbonyl)amino)-4-bromobutanoyl)glycinate | C16H21BrN2O5

ethyl (3-(((benzyloxy)carbonyl)amino)-4-bromobutanoyl)glycinate

  • Molecular FormulaC16H21BrN2O5
  • Average mass401.252 Da
  • Monoisotopic mass400.063385 Da
  • ChemSpider ID21373970

More details:

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

959246-79-8 [RN]
ethyl (3-(((benzyloxy)carbonyl)amino)-4-bromobutanoyl)glycinate
Ethyl N-(3-{[(benzyloxy)carbonyl]amino}-4-bromobutanoyl)glycinate [ACD/IUPAC Name]
Ethyl-N-(3-{[(benzyloxy)carbonyl]amino}-4-brombutanoyl)glycinat [German] [ACD/IUPAC Name]
Glycine, N-[4-bromo-1-oxo-3-[[(phenylmethoxy)carbonyl]amino]butyl]-, ethyl ester [ACD/Index Name]
N-(3-{[(Benzyloxy)carbonyl]amino}-4-bromobutanoyl)glycinate d'éthyle [French] [ACD/IUPAC Name]
(3-Benzyloxycarbonylamino-4-bromo-butyrylamino)-acetic acid ethyl ester
4-amino-N-(4-oxo-5,6,7,8-tetrahydro-1H-quinazolin-2-yl)benzenesulfonamide
Ethyl (3-Cbz-amino-4-bromobutyrylamino)acetate
Ethyl 2-(3-(((benzyloxy)carbonyl)amino)-4-bromobutanamido)acetate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 560.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 84.3±3.0 kJ/mol
    Flash Point: 292.8±30.1 °C
    Index of Refraction: 1.543
    Molar Refractivity: 91.3±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 0
    ACD/LogP: 2.44
    ACD/LogD (pH 5.5): 2.17
    ACD/BCF (pH 5.5): 26.16
    ACD/KOC (pH 5.5): 360.03
    ACD/LogD (pH 7.4): 2.17
    ACD/BCF (pH 7.4): 26.15
    ACD/KOC (pH 7.4): 359.91
    Polar Surface Area: 94 Å2
    Polarizability: 36.2±0.5 10-24cm3
    Surface Tension: 48.0±3.0 dyne/cm
    Molar Volume: 289.6±3.0 cm3

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