ChemSpider 2D Image | Methyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-valinate | C11H22N2O4

Methyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-valinate

  • Molecular FormulaC11H22N2O4
  • Average mass246.303 Da
  • Monoisotopic mass246.157959 Da
  • ChemSpider ID57422912

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-D-valinate de méthyle [French] [ACD/IUPAC Name]
D-Valine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-valinate [ACD/IUPAC Name]
Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-D-valinat [German] [ACD/IUPAC Name]
(R)-Methyl 2-amino-3-((tert-butoxycarbonyl)amino)-3-methylbutanoate
(R)-METHYL 2-AMINO-3-(TERT-BUTOXYCARBONYLAMINO)-3-METHYLBUTANOATE
(r)-methyl 2-amino-3-(tert-butoxycarbonylamino)-3-methylbutanoate(wx665211)
1093198-33-4 [RN]
METHYL (2R)-2-AMINO-3-[(TERT-BUTOXYCARBONYL)AMINO]-3-METHYLBUTANOATE
METHYL (2R)-2-AMINO-3-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-METHYLBUTANOATE
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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: 344.0±32.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 58.8±3.0 kJ/mol
    Flash Point: 161.8±25.1 °C
    Index of Refraction: 1.465
    Molar Refractivity: 63.6±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 0.38
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 13.33
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.09
    ACD/KOC (pH 7.4): 122.81
    Polar Surface Area: 91 Å2
    Polarizability: 25.2±0.5 10-24cm3
    Surface Tension: 36.1±3.0 dyne/cm
    Molar Volume: 230.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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