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

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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