ChemSpider 2D Image | 3-[(tert-Butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid | C14H21NO5

3-[(tert-Butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid

  • Molecular FormulaC14H21NO5
  • Average mass283.320 Da
  • Monoisotopic mass283.141968 Da
  • ChemSpider ID21783066

More details:

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

1174311-20-6 [RN]
3-[(tert-Butoxy)carbonyl]-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-9-oxo-3-azabicyclo[3.3.1]nonan-7-carbonsäure [German] [ACD/IUPAC Name]
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.3.1]nonane-3,7-dicarboxylic acid, 9-oxo-, 3-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylique [French] [ACD/IUPAC Name]
3-(tert-butoxycarbonyl)-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
MFCD09754278 [MDL number]
MFCD24533822

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 446.8±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±6.0 kJ/mol
    Flash Point: 224.0±28.7 °C
    Index of Refraction: 1.523
    Molar Refractivity: 69.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.69
    ACD/LogD (pH 5.5): -0.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 5.63
    ACD/LogD (pH 7.4): -1.91
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 27.6±0.5 10-24cm3
    Surface Tension: 48.6±3.0 dyne/cm
    Molar Volume: 227.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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