Found 14 results

Search term: CFGKWSDAMXTRHE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R)-5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid | C13H15NO3

(3R)-5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC13H15NO3
  • Average mass233.263 Da
  • Monoisotopic mass233.105194 Da
  • ChemSpider ID67906338

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3R)-5-Oxo-1-(1-phenylethyl)-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3R)-5-Oxo-1-(1-phenylethyl)-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
3-Pyrrolidinecarboxylic acid, 5-oxo-1-(1-phenylethyl)-, (3R)- [ACD/Index Name]
Acide (3R)-5-oxo-1-(1-phényléthyl)-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(3R)-5-Oxo-1-(1-phenylethyl)pyrrolidine-3-carboxylic acid
99735-43-0 [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: 460.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 232.1±28.7 °C
Index of Refraction: 1.589
Molar Refractivity: 62.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.99
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.98
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 58 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 184.1±3.0 cm3

Click to predict properties on the Chemicalize site


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