ChemSpider 2D Image | (1S,3S,4R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylic acid | C12H19NO4

(1S,3S,4R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylic acid

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID29314186

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3S,4R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptan-3-carbonsäure [German] [ACD/IUPAC Name]
(1S,3S,4R)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylic acid [ACD/IUPAC Name]
2-Azabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, 2-(1,1-dimethylethyl) ester, (1S,3S,4R)- [ACD/Index Name]
Acide (1S,3S,4R)-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.1]heptane-3-carboxylique [French] [ACD/IUPAC Name]
(1R,2S,4S)-3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[2.2.1]heptane-2-carboxylic acid
(1S,3R,4R)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
(1S,3R,4R)-N-tert-butoxycarbonyl-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
(1S,3R,4S)-2-(tert-Butoxycarbonyl)-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
(1S,3S,4R)-2-[(tert-butoxy)carbonyl]-2-azabicyclo[2.2.1]heptane-3-carboxylic acid
134877-62-6 [RN]
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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: 371.0±25.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 67.9±6.0 kJ/mol
    Flash Point: 178.2±23.2 °C
    Index of Refraction: 1.527
    Molar Refractivity: 60.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 0.98
    ACD/LogD (pH 5.5): 0.30
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 7.49
    ACD/LogD (pH 7.4): -1.44
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 23.9±0.5 10-24cm3
    Surface Tension: 48.3±3.0 dyne/cm
    Molar Volume: 195.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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