ChemSpider 2D Image | (2S,3aS,6aS)-1-[(2S)-2-Aminopropanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid | C11H18N2O3

(2S,3aS,6aS)-1-[(2S)-2-Aminopropanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid

  • Molecular FormulaC11H18N2O3
  • Average mass226.272 Da
  • Monoisotopic mass226.131744 Da
  • ChemSpider ID23975975

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,3aS,6aS)-1-[(2S)-2-Aminopropanoyl]octahydrocyclopenta[b]pyrrol-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,3aS,6aS)-1-[(2S)-2-Aminopropanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid [ACD/IUPAC Name]
Acide (2S,3aS,6aS)-1-[(2S)-2-aminopropanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylique [French] [ACD/IUPAC Name]
(2S,3aS,6aS)-1-((S)-2-aminopropanoyl)octahydrocyclopenta[b]pyrrole-2-carboxylic acid
(2S,3aS,6aS)-1-[(2S)-2-Aminopropanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)
1-(2-Amino-1-oxopropyl)octahydrocyclopenta[b]pyrrole-2-caroxylic Acid
1-(2-Amino-1-oxopropyl)octahydrocyclopenta[b]pyrrole-2-caroxylicAcid
104160-97-6 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 442.5±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.3 mmHg at 25°C
    Enthalpy of Vaporization: 76.7±6.0 kJ/mol
    Flash Point: 221.4±24.6 °C
    Index of Refraction: 1.557
    Molar Refractivity: 57.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -0.01
    ACD/LogD (pH 5.5): -1.93
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.97
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 84 Å2
    Polarizability: 22.7±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 178.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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