ChemSpider 2D Image | (2R)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid | C14H23NO4

(2R)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid

  • Molecular FormulaC14H23NO4
  • Average mass269.337 Da
  • Monoisotopic mass269.162720 Da
  • ChemSpider ID27464836

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(2R)-1-(tert-Butoxycarbonyl)octahydro-1H-indole-2-carboxylic acid
(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indol-2-carbonsäure [German] [ACD/IUPAC Name]
(2R)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylic acid [ACD/IUPAC Name]
1217525-04-6 [RN]
1H-Indole-1,2-dicarboxylic acid, octahydro-, 1-(1,1-dimethylethyl) ester, (2R)- [ACD/Index Name]
Acide (2R)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}octahydro-1H-indole-2-carboxylique [French] [ACD/IUPAC Name]
(2R)-1-(TERT-BUTOXYCARBONYL)-OCTAHYDROINDOLE-2-CARBOXYLIC ACID
(2R)-1-[(TERT-BUTOXY)CARBONYL]-OCTAHYDRO-1H-INDOLE-2-CARBOXYLIC ACID
[1217525-04-6] [RN]
Boc-D-Octahydroindole-2-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: 400.9±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.5±6.0 kJ/mol
    Flash Point: 196.2±24.0 °C
    Index of Refraction: 1.513
    Molar Refractivity: 69.4±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.11
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 3.55
    ACD/KOC (pH 5.5): 32.74
    ACD/LogD (pH 7.4): -0.24
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 27.5±0.5 10-24cm3
    Surface Tension: 44.2±3.0 dyne/cm
    Molar Volume: 231.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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