ChemSpider 2D Image | (2S)-2-Amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate | C13H24N2O5

(2S)-2-Amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate

  • Molecular FormulaC13H24N2O5
  • Average mass288.340 Da
  • Monoisotopic mass288.168518 Da
  • ChemSpider ID35034845

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-Amino-3-oxopropyl 4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoate [ACD/IUPAC Name]
(2S)-2-Amino-3-oxopropyl-4-{[(2S)-2-hydroxy-4-methylpentanoyl]amino}butanoat [German] [ACD/IUPAC Name]
4-{[(2S)-2-Hydroxy-4-méthylpentanoyl]amino}butanoate de (2S)-2-amino-3-oxopropyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(2S)-2-hydroxy-4-methyl-1-oxopentyl]amino]-, (2S)-2-amino-3-oxopropyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 508.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 89.7±6.0 kJ/mol
Flash Point: 261.6±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 0.72
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 17.45
ACD/LogD (pH 7.4): 0.09
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.60
Polar Surface Area: 119 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 252.2±3.0 cm3

Click to predict properties on the Chemicalize site


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