ChemSpider 2D Image | methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoate | C10H19NO5

methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoate

  • Molecular FormulaC10H19NO5
  • Average mass233.262 Da
  • Monoisotopic mass233.126328 Da
  • ChemSpider ID32743608

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-4-Hydroxy-3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)butanoate de méthyle [French] [ACD/IUPAC Name]
136703-59-8 [RN]
Butanoic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, methyl ester, (3S)- [ACD/Index Name]
methyl (3S)-3-{[(tert-butoxy)carbonyl]amino}-4-hydroxybutanoate
Methyl (3S)-4-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoate [ACD/IUPAC Name]
Methyl-(3S)-4-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)butanoat [German] [ACD/IUPAC Name]
(3s)​-3-[[(1,1-dimethylethoxy)​carbonyl]​amino]​-4-hydroxy-butanoic acid methyl ester
(3s)???-3-[[(1,1-dimethylethoxy)???carbonyl]???amino]???-4-hydroxy-butanoic acid methyl ester
(S)-Methyl 3-(tert-butoxycarbonylamino)-4-hydroxybutanoate
Butanoicacid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-,methylester,(3S)-
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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: 364.6±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 70.7±6.0 kJ/mol
    Flash Point: 174.3±26.5 °C
    Index of Refraction: 1.462
    Molar Refractivity: 57.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.24
    ACD/LogD (pH 5.5): 0.92
    ACD/BCF (pH 5.5): 2.95
    ACD/KOC (pH 5.5): 75.56
    ACD/LogD (pH 7.4): 0.92
    ACD/BCF (pH 7.4): 2.95
    ACD/KOC (pH 7.4): 75.54
    Polar Surface Area: 85 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 38.6±3.0 dyne/cm
    Molar Volume: 207.3±3.0 cm3

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