ChemSpider 2D Image | (3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid | C13H21NO4

(3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid

  • Molecular FormulaC13H21NO4
  • Average mass255.310 Da
  • Monoisotopic mass255.147064 Da
  • ChemSpider ID25027274

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,5r,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid
(3aR,5r,6aS)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrocyclopenta[c]pyrrol-5-carbonsäure [German] [ACD/IUPAC Name]
(3aR,5r,6aS)-2-{[(2-Methyl-2-propanyl)oxy]carbonyl}octahydrocyclopenta[c]pyrrole-5-carboxylic acid [ACD/IUPAC Name]
442877-23-8 [RN]
Acide (3aR,5r,6aS)-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}octahydrocyclopenta[c]pyrrole-5-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-2,5(1H)-dicarboxylic acid, hexahydro-, 2-(1,1-dimethylethyl) ester, (3aR,6aS)- [ACD/Index Name]
MFCD21607795 [MDL number]
(3aR,5R,6aS)-2-[(tert-butoxy)carbonyl]-octahydrocyclopenta[c]pyrrole-5-carboxylic acid
(3aR,6aS)-2-(tert-butoxycarbonyl)octahydrocyclopenta[c]pyrrole-5-carboxylic acid
(3aS,6aR)-2-tert-butoxycarbonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-5-carboxylic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 386.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 69.7±6.0 kJ/mol
    Flash Point: 187.3±25.9 °C
    Index of Refraction: 1.519
    Molar Refractivity: 64.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.20
    ACD/LogD (pH 5.5): 1.00
    ACD/BCF (pH 5.5): 2.16
    ACD/KOC (pH 5.5): 35.22
    ACD/LogD (pH 7.4): -0.79
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 25.7±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 213.4±3.0 cm3

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