ChemSpider 2D Image | N-[(1,1-Dimethylethoxy)carbonyl]-4-fluoro-L-phenylalanine methyl ester | C15H20FNO4

N-[(1,1-Dimethylethoxy)carbonyl]-4-fluoro-L-phenylalanine methyl ester

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID24958436

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

134362-34-8 [RN]
4-Fluoro-N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-4-fluoro-, methyl ester [ACD/Index Name]
Methyl 4-fluoro-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninate [ACD/IUPAC Name]
Methyl-4-fluor-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalaninat [German] [ACD/IUPAC Name]
N-[(1,1-Dimethylethoxy)carbonyl]-4-fluoro-L-phenylalanine methyl ester
(S)-2-tert-Butoxycarbonylamino-3-(4-fluoro-phenyl)-propionic acid methyl ester
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-(4-fluorophenyl)propanoate
METHYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-(4-FLUOROPHENYL)PROPANOATE
METHYL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-(4-FLUOROPHENYL)PROPANOATE
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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: 406.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 65.9±3.0 kJ/mol
    Flash Point: 199.9±27.3 °C
    Index of Refraction: 1.495
    Molar Refractivity: 75.3±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 3.43
    ACD/LogD (pH 5.5): 3.24
    ACD/BCF (pH 5.5): 171.58
    ACD/KOC (pH 5.5): 1383.67
    ACD/LogD (pH 7.4): 3.24
    ACD/BCF (pH 7.4): 171.53
    ACD/KOC (pH 7.4): 1383.30
    Polar Surface Area: 65 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 37.6±3.0 dyne/cm
    Molar Volume: 258.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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