ChemSpider 2D Image | methyl 3-{[(tert-butoxy)carbonyl]amino}oxetane-3-carboxylate | C10H17NO5

methyl 3-{[(tert-butoxy)carbonyl]amino}oxetane-3-carboxylate

  • Molecular FormulaC10H17NO5
  • Average mass231.246 Da
  • Monoisotopic mass231.110672 Da
  • ChemSpider ID28290472

More details:

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

1363381-38-7 [RN]
3-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxétanecarboxylate de méthyle [French] [ACD/IUPAC Name]
3-Oxetanecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester [ACD/Index Name]
Methyl 3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetanecarboxylate [ACD/IUPAC Name]
methyl 3-{[(tert-butoxy)carbonyl]amino}oxetane-3-carboxylate
Methyl-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetancarboxylat [German] [ACD/IUPAC Name]
5-oxo-1-phenyl-pyrazol-1-ium-3-carboxylic acid
7-Oxo-8-oxa-2,6-diaza-spiro[4.5]decane
methyl 3-((tert-butoxycarbonyl)amino)oxetane-3-carboxylate
Methyl 3-(Boc-amino)-3-oxetanecarboxylate
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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: 311.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.3±3.0 kJ/mol
    Flash Point: 142.4±27.9 °C
    Index of Refraction: 1.475
    Molar Refractivity: 55.4±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 1.17
    ACD/BCF (pH 5.5): 4.55
    ACD/KOC (pH 5.5): 103.01
    ACD/LogD (pH 7.4): 1.16
    ACD/BCF (pH 7.4): 4.51
    ACD/KOC (pH 7.4): 101.99
    Polar Surface Area: 74 Å2
    Polarizability: 22.0±0.5 10-24cm3
    Surface Tension: 39.4±5.0 dyne/cm
    Molar Volume: 196.8±5.0 cm3

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