ChemSpider 2D Image | cis-3-(Cbz-amino)cyclobutanecarboxylic acid | C13H15NO4

cis-3-(Cbz-amino)cyclobutanecarboxylic acid

  • Molecular FormulaC13H15NO4
  • Average mass249.262 Da
  • Monoisotopic mass249.100113 Da
  • ChemSpider ID21474197

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1212380-76-1 [RN]
Acide cis-3-{[(benzyloxy)carbonyl]amino}cyclobutanecarboxylique [French] [ACD/IUPAC Name]
cis-3-(Cbz-amino)cyclobutanecarboxylic acid
cis-3-{[(Benzyloxy)carbonyl]amino}cyclobutancarbonsäure [German] [ACD/IUPAC Name]
cis-3-{[(Benzyloxy)carbonyl]amino}cyclobutanecarboxylic acid [ACD/IUPAC Name]
Cyclobutanecarboxylic acid, 3-[[(phenylmethoxy)carbonyl]amino]-, cis- [ACD/Index Name]
(1S,3S)-3-(((BENZYLOXY)CARBONYL)AMINO)CYCLOBUTANECARBOXYLIC ACID
(1s,3s)-3-{[(benzyloxy)carbonyl]amino}cyclobutane-1-carboxylic acid
1217802-45-3 [RN]
3-(Benzyloxycarbonylamino)cyclobutanecarboxylic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 464.9±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 76.5±3.0 kJ/mol
    Flash Point: 234.9±28.4 °C
    Index of Refraction: 1.580
    Molar Refractivity: 64.2±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.64
    ACD/LogD (pH 5.5): 0.80
    ACD/BCF (pH 5.5): 1.40
    ACD/KOC (pH 5.5): 23.59
    ACD/LogD (pH 7.4): -1.00
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 25.5±0.5 10-24cm3
    Surface Tension: 55.3±5.0 dyne/cm
    Molar Volume: 193.1±5.0 cm3

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