ChemSpider 2D Image | (2S)-2-Amino-4-{2-[formyl(methyl)amino]phenyl}-4-oxobutanoic acid | C12H14N2O4

(2S)-2-Amino-4-{2-[formyl(methyl)amino]phenyl}-4-oxobutanoic acid

  • Molecular FormulaC12H14N2O4
  • Average mass250.251 Da
  • Monoisotopic mass250.095352 Da
  • ChemSpider ID59008113

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-4-{2-[formyl(methyl)amino]phenyl}-4-oxobutanoic acid [ACD/IUPAC Name]
(2S)-2-Amino-4-{2-[formyl(methyl)amino]phenyl}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-amino-4-{2-[formyl(méthyl)amino]phényl}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-amino-2-(formylmethylamino)-γ-oxo-, (αS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 514.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 264.7±30.1 °C
Index of Refraction: 1.609
Molar Refractivity: 65.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.19
ACD/LogD (pH 5.5): -2.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 188.0±3.0 cm3

Click to predict properties on the Chemicalize site


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