ChemSpider 2D Image | Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-methylbenzyl)propanoate | C17H25NO4

Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-methylbenzyl)propanoate

  • Molecular FormulaC17H25NO4
  • Average mass307.385 Da
  • Monoisotopic mass307.178345 Da
  • ChemSpider ID21374067

More details:

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

2-(3-Méthylbenzyl)-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoate de méthyle [French] [ACD/IUPAC Name]
886366-61-6 [RN]
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]-3-methyl-, methyl ester [ACD/Index Name]
Methyl 2-(3-methylbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate [ACD/IUPAC Name]
Methyl 3-[(tert-butoxycarbonyl)amino]-2-(3-methylbenzyl)propanoate
Methyl-2-(3-methylbenzyl)-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoat [German] [ACD/IUPAC Name]
2-(tert-Butoxycarbonylamino-methyl)-3-m-tolyl-propionic acid methyl ester
2-[(3-methylphenyl)methyl]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid methyl ester
3,4'-DIMETHOXY-5,7,3'-TRIHYDROXYFLAVONE
Methyl 2-{[(tert-butoxycarbonyl)amino]methyl}-3-(3-methylphenyl)propanoate
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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: 432.6±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 68.8±3.0 kJ/mol
    Flash Point: 215.4±27.3 °C
    Index of Refraction: 1.503
    Molar Refractivity: 84.8±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.91
    ACD/LogD (pH 5.5): 3.59
    ACD/BCF (pH 5.5): 313.10
    ACD/KOC (pH 5.5): 2128.23
    ACD/LogD (pH 7.4): 3.59
    ACD/BCF (pH 7.4): 313.10
    ACD/KOC (pH 7.4): 2128.19
    Polar Surface Area: 65 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 37.5±3.0 dyne/cm
    Molar Volume: 286.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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