ChemSpider 2D Image | N-(1-Carboxy-3-phenylpropyl)-L-alanyl-L-proline | C18H24N2O5

N-(1-Carboxy-3-phenylpropyl)-L-alanyl-L-proline

  • Molecular FormulaC18H24N2O5
  • Average mass348.394 Da
  • Monoisotopic mass348.168518 Da
  • ChemSpider ID23133880

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

L-Proline, N-(1-carboxy-3-phenylpropyl)-L-alanyl- [ACD/Index Name]
N-(1-Carboxy-3-phenylpropyl)-L-alanyl-L-prolin [German] [ACD/IUPAC Name]
N-(1-Carboxy-3-phenylpropyl)-L-alanyl-L-proline [ACD/IUPAC Name]
N-(1-Carboxy-3-phénylpropyl)-L-alanyl-L-proline [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]pyrrolidine-2-carboxylic acid
1-[2-(1-Carboxy-3-phenyl-propylamino)-propionyl]-pyrrolidine-2-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 601.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.1±3.0 kJ/mol
Flash Point: 317.3±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.54
ACD/LogD (pH 5.5): -2.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 107 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 59.9±3.0 dyne/cm
Molar Volume: 270.7±3.0 cm3

Click to predict properties on the Chemicalize site


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