ChemSpider 2D Image | 3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-D-alanine | C8H16N2O4

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

  • Molecular FormulaC8H16N2O4
  • Average mass204.224 Da
  • Monoisotopic mass204.111008 Da
  • ChemSpider ID18901506

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-D-alanin [German] [ACD/IUPAC Name]
3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-D-alanine [ACD/IUPAC Name]
3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-D-alanine [French] [ACD/IUPAC Name]
D-Alanine, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
(2R)-2-AMINO-3-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOIC ACID
(2R)-2-AMINO-3-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOIC ACID
(3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-D-alanine)
(R)-2-amino-3-((tert-butoxycarbonyl)amino)propanoic acid
[259825-43-9] [RN]
259825-43-9 [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: 364.1±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 67.0±6.0 kJ/mol
    Flash Point: 174.0±26.5 °C
    Index of Refraction: 1.489
    Molar Refractivity: 49.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.84
    ACD/LogD (pH 5.5): -2.10
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.12
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 19.6±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 171.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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