ChemSpider 2D Image | 2-(1-Benzyloxycarbonylazetidin-3-yl)acetic acid | C13H15NO4

2-(1-Benzyloxycarbonylazetidin-3-yl)acetic acid

  • Molecular FormulaC13H15NO4
  • Average mass249.262 Da
  • Monoisotopic mass249.100113 Da
  • ChemSpider ID21107925

More details:

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

{1-[(Benzyloxy)carbonyl]-3-azetidinyl}acetic acid [ACD/IUPAC Name]
{1-[(Benzyloxy)carbonyl]-3-azetidinyl}essigsäure [German] [ACD/IUPAC Name]
2-(1-Benzyloxycarbonylazetidin-3-yl)acetic acid
2-{1-[(benzyloxy)carbonyl]azetidin-3-yl}acetic acid
319470-14-9 [RN]
3-Azetidineacetic acid, 1-[(phenylmethoxy)carbonyl]- [ACD/Index Name]
3-Carboxymethyl-azetidine-1-carboxylic acid benzyl ester
Acide {1-[(benzyloxy)carbonyl]-3-azétidinyl}acétique [French] [ACD/IUPAC Name]
[319470-14-9] [RN]
{1-[(Benzyloxy)carbonyl]azetidin-3-yl}acetic acid
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 437.0±28.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.1±3.0 kJ/mol
    Flash Point: 218.1±24.0 °C
    Index of Refraction: 1.576
    Molar Refractivity: 63.7±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.06
    ACD/LogD (pH 5.5): 0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 15.32
    ACD/LogD (pH 7.4): -1.35
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 67 Å2
    Polarizability: 25.3±0.5 10-24cm3
    Surface Tension: 55.9±3.0 dyne/cm
    Molar Volume: 192.6±3.0 cm3

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