ChemSpider 2D Image | N-(1H-Indol-3-ylcarbonyl)-L-phenylalanine | C18H16N2O3

N-(1H-Indol-3-ylcarbonyl)-L-phenylalanine

  • Molecular FormulaC18H16N2O3
  • Average mass308.331 Da
  • Monoisotopic mass308.116089 Da
  • ChemSpider ID21373871

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Phenylalanine, N-(1H-indol-3-ylcarbonyl)- [ACD/Index Name]
N-(1H-Indol-3-ylcarbonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-(1H-Indol-3-ylcarbonyl)-L-phenylalanine [ACD/IUPAC Name]
N-(1H-Indol-3-ylcarbonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
(2S)-2-(1H-INDOL-3-YLFORMAMIDO)-3-PHENYLPROPANOIC ACID
(2S)-2-[(1H-INDOL-3-YL)FORMAMIDO]-3-PHENYLPROPANOIC ACID
(S)-2-(1H-Indole-3-carboxamido)-3-phenylpropanoic acid
(S)-2-[(1H-Indole-3-carbonyl)-amino]-3-phenyl-propionic acid
115627-41-3 [RN]
2-[(1H-Indole-3-carbonyl)-amino]-3-phenyl-propionic acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 647.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 345.6±30.1 °C
Index of Refraction: 1.682
Molar Refractivity: 87.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.65
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.42
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 82 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 64.6±3.0 dyne/cm
Molar Volume: 230.9±3.0 cm3

Click to predict properties on the Chemicalize site


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