ChemSpider 2D Image | 2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID | C10H17NO5

2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID

  • Molecular FormulaC10H17NO5
  • Average mass231.246 Da
  • Monoisotopic mass231.110672 Da
  • ChemSpider ID26635542

More details:

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

[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetanyl]acetic acid [ACD/IUPAC Name]
[3-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)-3-oxetanyl]essigsäure [German] [ACD/IUPAC Name]
1221715-78-1 [RN]
2-(3-((TERT-BUTOXYCARBONYL)AMINO)OXETAN-3-YL)ACETIC ACID
2-(3-{[(tert-butoxy)carbonyl]amino}oxetan-3-yl)acetic acid
3-Oxetaneacetic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]- [ACD/Index Name]
Acide [3-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-3-oxétanyl]acétique [French] [ACD/IUPAC Name]
MFCD16140246 [MDL number]
(3-tert-Butoxycarbonylamino-oxetan-3-yl)acetic acid
(3-tert-Butoxycarbonylamino-oxetan-3-yl)-acetic 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: 399.8±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.0 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±6.0 kJ/mol
    Flash Point: 195.6±25.9 °C
    Index of Refraction: 1.499
    Molar Refractivity: 55.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 0.54
    ACD/LogD (pH 5.5): -0.35
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 4.54
    ACD/LogD (pH 7.4): -2.14
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 46.0±5.0 dyne/cm
    Molar Volume: 188.1±5.0 cm3

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