ChemSpider 2D Image | Methyl N-(1H-indol-3-ylcarbonyl)-3-methyl-L-valinate | C16H20N2O3

Methyl N-(1H-indol-3-ylcarbonyl)-3-methyl-L-valinate

  • Molecular FormulaC16H20N2O3
  • Average mass288.342 Da
  • Monoisotopic mass288.147400 Da
  • ChemSpider ID84400533

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

L-Valine, N-(1H-indol-3-ylcarbonyl)-3-methyl-, methyl ester [ACD/Index Name]
Methyl N-(1H-indol-3-ylcarbonyl)-3-methyl-L-valinate [ACD/IUPAC Name]
Methyl-N-(1H-indol-3-ylcarbonyl)-3-methyl-L-valinat [German] [ACD/IUPAC Name]
N-(1H-Indol-3-ylcarbonyl)-3-méthyl-L-valinate de méthyle [French] [ACD/IUPAC Name]
Methyl (S)-2-(1H-indole-3-carboxamido)-3,3-dimethylbutanoate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 513.3±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 264.2±24.6 °C
Index of Refraction: 1.580
Molar Refractivity: 81.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 2.61
ACD/BCF (pH 5.5): 56.36
ACD/KOC (pH 5.5): 623.71
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 56.36
ACD/KOC (pH 7.4): 623.71
Polar Surface Area: 71 Å2
Polarizability: 32.4±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 245.2±3.0 cm3

Click to predict properties on the Chemicalize site


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