ChemSpider 2D Image | 4-Acetamido-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine | C16H22N2O5

4-Acetamido-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine

  • Molecular FormulaC16H22N2O5
  • Average mass322.356 Da
  • Monoisotopic mass322.152863 Da
  • ChemSpider ID27464827

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Acetamido-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanin [German] [ACD/IUPAC Name]
4-Acetamido-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine [ACD/IUPAC Name]
4-Acétamido-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalanine [French] [ACD/IUPAC Name]
L-Phenylalanine, 4-(acetylamino)-N-[(1,1-dimethylethoxy)carbonyl]- [ACD/Index Name]
(2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-ACETAMIDOPHENYL)PROPANOIC ACID
(2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(4-ACETAMIDOPHENYL)PROPANOIC ACID
(2S)-3-[4-(ACETYLAMINO)PHENYL]-2-[(TERT-BUTOXY)CARBONYLAMINO]PROPANOIC ACID
(S)-3-(4-Acetamidophenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid
[114117-42-9] [RN]
114117-42-9 [RN]
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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: 564.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.3±3.0 kJ/mol
    Flash Point: 295.4±30.1 °C
    Index of Refraction: 1.561
    Molar Refractivity: 84.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.83
    ACD/LogD (pH 5.5): -0.48
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.57
    ACD/LogD (pH 7.4): -1.98
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 105 Å2
    Polarizability: 33.6±0.5 10-24cm3
    Surface Tension: 49.2±3.0 dyne/cm
    Molar Volume: 261.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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