ChemSpider 2D Image | 6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid | C13H21NO4

6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid

  • Molecular FormulaC13H21NO4
  • Average mass255.310 Da
  • Monoisotopic mass255.147064 Da
  • ChemSpider ID22370832

More details:

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

1087798-38-6 [RN]
6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)spiro[3.3]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
6-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)spiro[3.3]heptane-2-carboxylic acid [ACD/IUPAC Name]
6-[[(1,1-Dimethylethoxy)carbonyl]amino]spiro[3.3]heptane-2-carboxylic acid
6-{[(tert-butoxy)carbonyl]amino}spiro[3.3]heptane-2-carboxylic acid
Acide 6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)spiro[3.3]heptane-2-carboxylique [French] [ACD/IUPAC Name]
Spiro[3.3]heptane-2-carboxylic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
[1087798-38-6] [RN]
108779-83-5 [RN]
2-[(2-methylpropan-2-yl)oxycarbonylamino]spiro[3.3]heptane-6-carboxylic acid
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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: 420.5±44.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 74.0±6.0 kJ/mol
    Flash Point: 208.1±28.4 °C
    Index of Refraction: 1.524
    Molar Refractivity: 65.3±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.38
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 1.28
    ACD/KOC (pH 5.5): 23.48
    ACD/LogD (pH 7.4): -1.08
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 25.9±0.5 10-24cm3
    Surface Tension: 46.2±5.0 dyne/cm
    Molar Volume: 213.3±5.0 cm3

    Click to predict properties on the Chemicalize site


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