ChemSpider 2D Image | (2S,3aR,6aR)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name) | C21H28N2O5

(2S,3aR,6aR)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name)

  • Molecular FormulaC21H28N2O5
  • Average mass388.457 Da
  • Monoisotopic mass388.199829 Da
  • ChemSpider ID48063397

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(2S,3aR,6aR)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrol-2-carbonsäure (non-preferred name) [German] [ACD/IUPAC Name]
(2S,3aR,6aR)-1-[(2S)-2-{[(1S)-1-Carboxy-3-phenylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylic acid (non-preferred name) [ACD/IUPAC Name]
Acide (2S,3aR,6aR)-1-[(2S)-2-{[(1S)-1-carboxy-3-phénylpropyl]amino}propanoyl]octahydrocyclopenta[b]pyrrole-2-carboxylique (non-preferred name) [French] [ACD/IUPAC Name]
1356837-92-7 [RN]
1402238-27-0 [RN]
1402238-31-6 [RN]
87269-97-4 [RN]
87679-33-2 [RN]
Ramiprilat-d5(Mixture of Diastereomers)

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 632.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 98.3±3.0 kJ/mol
    Flash Point: 336.2±31.5 °C
    Index of Refraction: 1.583
    Molar Refractivity: 101.9±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 2.53
    ACD/LogD (pH 5.5): -1.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 107 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 57.5±3.0 dyne/cm
    Molar Volume: 304.9±3.0 cm3

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