ChemSpider 2D Image | 4-(3-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid | C16H23NO4

4-(3-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID26462706

More details:

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

4-(3-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
4-(3-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-(3-méthylphényl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl- [ACD/Index Name]
269398-83-6 [RN]
270062-93-6 [RN]
Boc-(S)-3-Amino-4-(3-methylphenyl)butyric acid
Boc-3-methyl-D-β-homophenylalanine
Boc-3-methyl-L-β-homophenylalanine
MFCD01860925 [MDL number]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 457.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 230.7±27.3 °C
Index of Refraction: 1.523
Molar Refractivity: 79.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 9.49
ACD/KOC (pH 5.5): 78.53
ACD/LogD (pH 7.4): 0.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.28
Polar Surface Area: 76 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 42.4±3.0 dyne/cm
Molar Volume: 261.4±3.0 cm3

Click to predict properties on the Chemicalize site


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