ChemSpider 2D Image | Methyl N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valinate | C20H28N2O3

Methyl N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valinate

  • Molecular FormulaC20H28N2O3
  • Average mass344.448 Da
  • Monoisotopic mass344.209991 Da
  • ChemSpider ID32055559
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

L-Valine, N-[(1-pentyl-1H-indol-3-yl)carbonyl]-, methyl ester [ACD/Index Name]
Methyl N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valinate [ACD/IUPAC Name]
Methyl-N-[(1-pentyl-1H-indol-3-yl)carbonyl]-L-valinat [German] [ACD/IUPAC Name]
N-[(1-Pentyl-1H-indol-3-yl)carbonyl]-L-valinate de méthyle [French] [ACD/IUPAC Name]
MMB-PICA
1971007-97-2 [RN]
methyl (1-pentyl-1H-indole-3-carbonyl)-L-valinate
METHYL (2S)-3-METHYL-2-[(1-PENTYL-1H-INDOL-3-YL)FORMAMIDO]BUTANOATE
METHYL (2S)-3-METHYL-2-[(1-PENTYLINDOL-3-YL)FORMAMIDO]BUTANOATE
MMB018
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 536.4±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.3±3.0 kJ/mol
Flash Point: 278.2±24.6 °C
Index of Refraction: 1.550
Molar Refractivity: 99.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2184.96
ACD/KOC (pH 5.5): 8550.06
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2184.95
ACD/KOC (pH 7.4): 8550.05
Polar Surface Area: 60 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 38.0±7.0 dyne/cm
Molar Volume: 310.6±7.0 cm3

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