ChemSpider 2D Image | (2R)-2-Amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acid | C9H18N2O4

(2R)-2-Amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acid

  • Molecular FormulaC9H18N2O4
  • Average mass218.250 Da
  • Monoisotopic mass218.126663 Da
  • ChemSpider ID24748771
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2R)-2-Amino-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoic acid [ACD/IUPAC Name]
(2R)-2-Amino-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butansäure [German] [ACD/IUPAC Name]
(2R)-2-Amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]butanoic acid
114360-55-3 [RN]
Acide (2R)-2-amino-4-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-amino-4-[[(1,1-dimethylethoxy)carbonyl]amino]-, (2R)- [ACD/Index Name]
(2R)-2-amino-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
(2R)-2-amino-4-{[(tert-butoxy)carbonyl]amino}butanoic acid
(R)-2-Amino-4-((tert-butoxycarbonyl)amino)butanoic acid
(R)-2-amino-4-(tert-butoxycarbonyl)butanoic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

    Density: 1.2±0.1 g/cm3
    Boiling Point: 388.2±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 70.0±6.0 kJ/mol
    Flash Point: 188.6±26.5 °C
    Index of Refraction: 1.487
    Molar Refractivity: 54.1±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 0.75
    ACD/LogD (pH 5.5): -2.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.04
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 21.5±0.5 10-24cm3
    Surface Tension: 44.6±3.0 dyne/cm
    Molar Volume: 188.1±3.0 cm3

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