ChemSpider 2D Image | 3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(4-methoxybenzyl)propanoic acid | C17H25NO5

3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(4-methoxybenzyl)propanoic acid

  • Molecular FormulaC17H25NO5
  • Average mass323.384 Da
  • Monoisotopic mass323.173279 Da
  • ChemSpider ID21373597

More details:

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

2-(4-Methoxybenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid [ACD/IUPAC Name]
2-(4-Methoxybenzyl)-3-(methyl{[(2-methyl-2-propanyl)oxy]carbonyl}amino)propansäure [German] [ACD/IUPAC Name]
3-[(tert-Butoxycarbonyl)(methyl)amino]-2-(4-methoxybenzyl)propanoic acid
886364-75-6 [RN]
Acide 2-(4-méthoxybenzyl)-3-(méthyl{[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[[(1,1-dimethylethoxy)carbonyl]methylamino]methyl]-4-methoxy- [ACD/Index Name]
2-[(4-methoxyphenyl)methyl]-3-[methyl-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid
2-[(tert-butoxycarbonylmethylamino)methyl]-3-(4-methoxyphenyl)Propanoic acid
2-[(tert-butoxycarbonyl-methyl-amino)-methyl]-3-(4-methoxy-phenyl)propionic acid
2-[(tert-Butoxycarbonyl-methyl-amino)-methyl]-3-(4-methoxy-phenyl)-propionic 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: 455.8±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.4±3.0 kJ/mol
    Flash Point: 229.5±27.3 °C
    Index of Refraction: 1.521
    Molar Refractivity: 86.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 3.44
    ACD/LogD (pH 5.5): 1.73
    ACD/BCF (pH 5.5): 5.94
    ACD/KOC (pH 5.5): 53.51
    ACD/LogD (pH 7.4): -0.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 34.3±0.5 10-24cm3
    Surface Tension: 42.1±3.0 dyne/cm
    Molar Volume: 284.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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