ChemSpider 2D Image | 3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3,4,5-trimethoxyphenyl)propanoic acid | C17H25NO7

3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3,4,5-trimethoxyphenyl)propanoic acid

  • Molecular FormulaC17H25NO7
  • Average mass355.383 Da
  • Monoisotopic mass355.163116 Da
  • ChemSpider ID26264376

More details:

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

3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3,4,5-trimethoxyphenyl)propanoic acid [ACD/IUPAC Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-(3,4,5-trimethoxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-(3,4,5-triméthoxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-3,4,5-trimethoxy- [ACD/Index Name]
284493-71-6 [RN]
3-((tert-butoxycarbonyl)amino)-3-(3,4,5-trimethoxyphenyl)propanoic acid
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3,4,5-trimethoxyphenyl)propanoic acid
3-tert-Butoxycarbonylamino-3-(3,4,5-trimethoxy-phenyl)-propionic acid
MFCD02090714

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 507.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.9±3.0 kJ/mol
    Flash Point: 260.7±30.1 °C
    Index of Refraction: 1.513
    Molar Refractivity: 90.5±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 2
    #Freely Rotating Bonds: 9
    #Rule of 5 Violations: 0
    ACD/LogP: 2.15
    ACD/LogD (pH 5.5): 0.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.13
    ACD/LogD (pH 7.4): -1.16
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 103 Å2
    Polarizability: 35.9±0.5 10-24cm3
    Surface Tension: 40.8±3.0 dyne/cm
    Molar Volume: 301.0±3.0 cm3

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