ChemSpider 2D Image | 3-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-L-alanine | C11H12N2O4

3-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-L-alanine

  • Molecular FormulaC11H12N2O4
  • Average mass236.224 Da
  • Monoisotopic mass236.079712 Da
  • ChemSpider ID48060225
  • defined stereocentres - 1 of 2 defined stereocentres


More details:






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

1H-Indole-3-propanoic acid, α-amino-2,3-dihydro-3-hydroxy-2-oxo-, (αS)- [ACD/Index Name]
3-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-L-alanin [German] [ACD/IUPAC Name]
3-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-L-alanine [ACD/IUPAC Name]
3-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-L-alanine [French] [ACD/IUPAC Name]
(2S)-2-amino-3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoic acid
184955-21-3 [RN]
Dioxindolyl-L-alanine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point: 564.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.2±3.0 kJ/mol
Flash Point: 295.2±30.1 °C
Index of Refraction: 1.646
Molar Refractivity: 57.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -0.14
ACD/LogD (pH 5.5): -2.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 113 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 75.4±3.0 dyne/cm
Molar Volume: 159.2±3.0 cm3

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