ChemSpider 2D Image | 3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester | C11H17NO4

3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester

  • Molecular FormulaC11H17NO4
  • Average mass227.257 Da
  • Monoisotopic mass227.115753 Da
  • ChemSpider ID26468927

More details:

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

1119512-39-8 [RN]
3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexan-6-carbonsäure [German] [ACD/IUPAC Name]
3-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-6-carboxylic acid [ACD/IUPAC Name]
3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid 3-tert-butyl ester
3-Azabicyclo[3.1.0]hexane-3,6-dicarboxylic acid, 3-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide 3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.1.0]hexane-6-carboxylique [French] [ACD/IUPAC Name]
(1R,5S)-3-(tert-butoxycarbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1R,5S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.1.0]hexane-6-carboxylic acid
(1R,5S,6R)-3-(TERT-BUTOXYCARBONYL)-3-AZABICYCLO[3.1.0]HEXANE-6-CARBOXYLIC ACID RACEMATE
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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: 355.9±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 66.0±6.0 kJ/mol
    Flash Point: 169.0±25.9 °C
    Index of Refraction: 1.537
    Molar Refractivity: 55.6±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.33
    ACD/LogD (pH 5.5): 0.50
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 16.08
    ACD/LogD (pH 7.4): -1.31
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 51.1±3.0 dyne/cm
    Molar Volume: 178.0±3.0 cm3

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