ChemSpider 2D Image | 5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylic acid | C11H16N2O5

5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylic acid

  • Molecular FormulaC11H16N2O5
  • Average mass256.255 Da
  • Monoisotopic mass256.105927 Da
  • ChemSpider ID28566800

More details:

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

1097257-19-6 [RN]
3-Isoxazolecarboxylic acid, 5-[1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]- [ACD/Index Name]
5-(1-((tert-Butoxycarbonyl)amino)ethyl)isoxazole-3-carboxylic acid
5-[1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,2-oxazol-3-carbonsäure [German] [ACD/IUPAC Name]
5-[1-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,2-oxazole-3-carboxylic acid [ACD/IUPAC Name]
Acide 5-[1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1,2-oxazole-3-carboxylique [French] [ACD/IUPAC Name]
(R)-5-(1-(tert-butoxycarbonylamino)ethyl)isoxazole-3-carboxylic acid
1095825-67-4 [RN]
5-(1-{[(tert-butoxy)carbonyl]amino}ethyl)-1,2-oxazole-3-carboxylic acid
5-{1-[(tert-Butoxycarbonyl)amino]ethyl}-1,2-oxazole-3-carboxylic 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: 450.1±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.7±3.0 kJ/mol
    Flash Point: 226.0±27.3 °C
    Index of Refraction: 1.509
    Molar Refractivity: 61.6±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): -0.76
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.72
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 102 Å2
    Polarizability: 24.4±0.5 10-24cm3
    Surface Tension: 46.7±3.0 dyne/cm
    Molar Volume: 206.4±3.0 cm3

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