ChemSpider 2D Image | 3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylic acid | C9H16N2O4

3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylic acid

  • Molecular FormulaC9H16N2O4
  • Average mass216.234 Da
  • Monoisotopic mass216.111008 Da
  • ChemSpider ID60779540

More details:

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

1262409-31-3 [RN]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-azetidincarbonsäure [German] [ACD/IUPAC Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-azetidinecarboxylic acid [ACD/IUPAC Name]
3-{[(tert-butoxy)carbonyl]amino}azetidine-3-carboxylic acid
3-Azetidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
Acide 3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-azétidinecarboxylique [French] [ACD/IUPAC Name]
3-([(tert-Butoxy)carbonyl]amino)azetidine-3-carboxylic acid
3-[(tert-butoxycarbonyl)amino]azetidine-3-carboxylic acid
MFCD18375112

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 383.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 69.4±6.0 kJ/mol
    Flash Point: 186.0±27.9 °C
    Index of Refraction: 1.518
    Molar Refractivity: 52.5±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): -2.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.10
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 20.8±0.5 10-24cm3
    Surface Tension: 48.7±5.0 dyne/cm
    Molar Volume: 173.2±5.0 cm3

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