ChemSpider 2D Image | 4-{[(Benzyloxy)carbonyl]amino}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid | C17H24N2O6

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

  • Molecular FormulaC17H24N2O6
  • Average mass352.382 Da
  • Monoisotopic mass352.163422 Da
  • ChemSpider ID11425923

More details:

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

4-{[(Benzyloxy)carbonyl]amino}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
4-{[(Benzyloxy)carbonyl]amino}-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
Acide 4-{[(benzyloxy)carbonyl]amino}-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-4-[[(phenylmethoxy)carbonyl]amino]- [ACD/Index Name]
[47461-65-4] [RN]
214852-60-5 [RN]
3350-20-7 [RN]
4-(((Benzyloxy)carbonyl)amino)-2-((tert-butoxycarbonyl)amino)butanoic acid
4-{[(BENZYLOXY)CARBONYL]AMINO}-2-[(TERT-BUTOXYCARBONYL)AMINO]BUTANOIC ACID
4-{[(BENZYLOXY)CARBONYL]AMINO}-2-{[(TERT-BUTOXY)CARBONYL]AMINO}BUTANOIC ACID
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 569.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.9±3.0 kJ/mol
    Flash Point: 298.3±30.1 °C
    Index of Refraction: 1.530
    Molar Refractivity: 89.7±0.3 cm3
    #H bond acceptors: 8
    #H bond donors: 3
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 0
    ACD/LogP: 3.14
    ACD/LogD (pH 5.5): 0.39
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.21
    ACD/LogD (pH 7.4): -1.05
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 114 Å2
    Polarizability: 35.6±0.5 10-24cm3
    Surface Tension: 47.3±3.0 dyne/cm
    Molar Volume: 290.5±3.0 cm3

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