ChemSpider 2D Image | (2R)-2-Amino-4-(3-methoxyphenyl)-2-methyl-4-oxobutanoic acid | C12H15NO4

(2R)-2-Amino-4-(3-methoxyphenyl)-2-methyl-4-oxobutanoic acid

  • Molecular FormulaC12H15NO4
  • Average mass237.252 Da
  • Monoisotopic mass237.100113 Da
  • ChemSpider ID57642075
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Amino-4-(3-methoxyphenyl)-2-methyl-4-oxobutanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-(3-methoxyphenyl)-2-methyl-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide (2R)-2-amino-4-(3-méthoxyphényl)-2-méthyl-4-oxobutanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, α-amino-3-methoxy-α-methyl-γ-oxo-, (αR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 430.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.4±3.0 kJ/mol
Flash Point: 214.4±28.7 °C
Index of Refraction: 1.555
Molar Refractivity: 61.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.66
ACD/LogD (pH 5.5): -1.30
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 90 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 50.6±3.0 dyne/cm
Molar Volume: 192.8±3.0 cm3

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