ChemSpider 2D Image | (2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-oxetanyl)acetic acid | C10H17NO5

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-oxetanyl)acetic acid

  • Molecular FormulaC10H17NO5
  • Average mass231.246 Da
  • Monoisotopic mass231.110672 Da
  • ChemSpider ID61628548

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-oxetanyl)acetic acid [ACD/IUPAC Name]
(2S)-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)(3-oxetanyl)essigsäure [German] [ACD/IUPAC Name]
3-Oxetaneacetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (αS)- [ACD/Index Name]
Acide (2S)-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)(3-oxétanyl)acétique [French] [ACD/IUPAC Name]
(2S)-2-{[(tert-butoxy)carbonyl]amino}-2-(oxetan-3-yl)acetic acid
(S)-[(tert-butoxycarbonyl)amino](oxetan-3-yl)acetic acid
(S)-2-((TERT-BUTOXYCARBONYL)AMINO)-2-(OXETAN-3-YL)ACETIC ACID
1932299-93-8 [RN]
MFCD30486208

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 397.7±17.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.1±6.0 kJ/mol
    Flash Point: 194.3±20.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 54.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.73
    ACD/LogD (pH 5.5): -1.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.93
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 21.7±0.5 10-24cm3
    Surface Tension: 46.8±3.0 dyne/cm
    Molar Volume: 187.1±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement