ChemSpider 2D Image | BENZYL 3-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE | C17H24N2O5

BENZYL 3-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE

  • Molecular FormulaC17H24N2O5
  • Average mass336.383 Da
  • Monoisotopic mass336.168518 Da
  • ChemSpider ID59759336

More details:

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

1-Azetidinecarboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-hydroxy-, phenylmethyl ester [ACD/Index Name]
3-Hydroxy-3-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1-azétidinecarboxylate de benzyle [French] [ACD/IUPAC Name]
934665-23-3 [RN]
BENZYL 3-({[(TERT-BUTOXY)CARBONYL]AMINO}METHYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE
Benzyl 3-hydroxy-3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-azetidinecarboxylate [ACD/IUPAC Name]
Benzyl-3-hydroxy-3-[({[(2-methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1-azetidincarboxylat [German] [ACD/IUPAC Name]
benzyl 3-(((tert-butoxycarbonyl)amino)methyl)-3-hydroxyazetidine-1-carboxylate
Benzyl 3-(([(tert-butoxy)carbonyl]amino)methyl)-3-hydroxyazetidine-1-carboxylate
BENZYL 3-{[(TERT-BUTOXYCARBONYL)AMINO]METHYL}-3-HYDROXYAZETIDINE-1-CARBOXYLATE
CC(C)(C)OC(=O)NCC1(O)CN(C1)C(=O)OCC1=CC=CC=C1
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 495.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 80.3±3.0 kJ/mol
    Flash Point: 253.4±27.3 °C
    Index of Refraction: 1.557
    Molar Refractivity: 87.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.57
    ACD/KOC (pH 5.5): 236.88
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.57
    ACD/KOC (pH 7.4): 236.88
    Polar Surface Area: 88 Å2
    Polarizability: 34.7±0.5 10-24cm3
    Surface Tension: 52.1±3.0 dyne/cm
    Molar Volume: 271.7±3.0 cm3

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