ChemSpider 2D Image | Methyl (2S)-3-cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate | C10H16N2O4

Methyl (2S)-3-cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate

  • Molecular FormulaC10H16N2O4
  • Average mass228.245 Da
  • Monoisotopic mass228.111008 Da
  • ChemSpider ID26576812

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-Cyano-2-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-3-cyano-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoate [ACD/IUPAC Name]
Methyl-(2S)-3-cyan-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoat [German] [ACD/IUPAC Name]
Propanoic acid, 3-cyano-2-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (2S)- [ACD/Index Name]
(S)-Methyl 2-((tert-butoxycarbonyl)amino)-3-cyanopropanoate
(S)-METHYL 2-(TERT-BUTOXYCARBONYLAMINO)-3-CYANOPROPANOATE
147091-70-1 [RN]
147091-71-2 [RN]
METHYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]-3-CYANOPROPANOATE
METHYL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}-3-CYANOPROPANOATE
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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: 380.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 62.9±3.0 kJ/mol
    Flash Point: 183.9±26.5 °C
    Index of Refraction: 1.457
    Molar Refractivity: 55.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 0
    ACD/LogP: 1.52
    ACD/LogD (pH 5.5): 1.19
    ACD/BCF (pH 5.5): 4.74
    ACD/KOC (pH 5.5): 106.02
    ACD/LogD (pH 7.4): 1.19
    ACD/BCF (pH 7.4): 4.74
    ACD/KOC (pH 7.4): 105.89
    Polar Surface Area: 88 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 39.1±3.0 dyne/cm
    Molar Volume: 203.2±3.0 cm3

    Click to predict properties on the Chemicalize site


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