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

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

  • Molecular FormulaC16H23NO4
  • Average mass293.358 Da
  • Monoisotopic mass293.162720 Da
  • ChemSpider ID26462708

More details:

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

4-(4-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
4-(4-Methylphenyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-(4-méthylphényl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Benzenebutanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-4-methyl- [ACD/Index Name]
(S)-Boc-4-methyl-β-Homophe-OH
269398-85-8 [RN]
270062-96-9 [RN]
3-(Boc-amino)-4-(4-methylphenyl)butyric Acid
683219-72-9 [RN]
Boc-(S)-3-Amino-4-(4-methylphenyl)butyric acid
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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: 458.4±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: 231.0±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): 1.96
    ACD/BCF (pH 5.5): 9.21
    ACD/KOC (pH 5.5): 76.22
    ACD/LogD (pH 7.4): 0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.25
    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

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