ChemSpider 2D Image | Boc-2,5-dihydro-D-phenylglycine | C13H19NO4

Boc-2,5-dihydro-D-phenylglycine

  • Molecular FormulaC13H19NO4
  • Average mass253.294 Da
  • Monoisotopic mass253.131409 Da
  • ChemSpider ID29312246

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-1,4-Cyclohexadien-1-yl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
(2R)-1,4-Cyclohexadien-1-yl({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
(2R)-2-{[(tert-butoxy)carbonyl]amino}-2-(cyclohexa-1,4-dien-1-yl)acetic acid
(R)-[(tert-butoxycarbonyl)amino](cyclohexa-1,4-dien-1-yl)acetic acid
1,4-Cyclohexadiene-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αR)- [ACD/Index Name]
57872-59-0 [RN]
Acide (2R)-1,4-cyclohexadién-1-yl({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Boc-2,5-dihydro-D-phenylglycine
(2R)-2-cyclohexa-1,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
(r)-2-((tert-butoxycarbonyl)amino)-2-(cyclohexa-1,4-dien-1-yl)acetic 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: 400.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±6.0 kJ/mol
    Flash Point: 195.7±27.9 °C
    Index of Refraction: 1.524
    Molar Refractivity: 66.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.93
    ACD/LogD (pH 5.5): -0.13
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 2.04
    ACD/LogD (pH 7.4): -1.54
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 76 Å2
    Polarizability: 26.2±0.5 10-24cm3
    Surface Tension: 46.0±3.0 dyne/cm
    Molar Volume: 216.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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