ChemSpider 2D Image | [(4-methoxyphenyl)({[(oxolan-2-ylmethyl)carbamoyl]methyl})amino]acetic acid | C16H22N2O5

[(4-methoxyphenyl)({[(oxolan-2-ylmethyl)carbamoyl]methyl})amino]acetic acid

  • Molecular FormulaC16H22N2O5
  • Average mass322.356 Da
  • Monoisotopic mass322.152863 Da
  • ChemSpider ID21800917

More details:






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

[(4-methoxyphenyl)({[(oxolan-2-ylmethyl)carbamoyl]methyl})amino]acetic acid
[(4-Methoxyphenyl){2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}amino]acetic acid [ACD/IUPAC Name]
[(4-Methoxyphenyl){2-oxo-2-[(tetrahydro-2-furanylmethyl)amino]ethyl}amino]essigsäure [German] [ACD/IUPAC Name]
1142215-62-0 [RN]
2-[(4-methoxyphenyl)({[(oxolan-2-yl)methyl]carbamoyl}methyl)amino]acetic acid
Acetic acid, 2-[(4-methoxyphenyl)[2-oxo-2-[[(tetrahydro-2-furanyl)methyl]amino]ethyl]amino]- [ACD/Index Name]
Acide [(4-méthoxyphényl){2-oxo-2-[(tétrahydro-2-furanylméthyl)amino]éthyl}amino]acétique [French] [ACD/IUPAC Name]
((4-METHOXYPHENYL)(2-OXO-2-[(TETRAHYDROFURAN-2-YLMETHYL)AMINO]ETHYL)AMINO)ACETIC ACID
((4-Methoxyphenyl){2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}amino)acetic acid
((4-methoxyphenyl){2-oxo-2-[(tetrahydrofuran-2-ylmethyl)amino]ethyl}amino)aceticacid
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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: 607.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 95.0±3.0 kJ/mol
    Flash Point: 321.5±30.1 °C
    Index of Refraction: 1.570
    Molar Refractivity: 84.4±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: -0.55
    ACD/LogD (pH 5.5): -0.95
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.58
    ACD/LogD (pH 7.4): -2.64
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 88 Å2
    Polarizability: 33.5±0.5 10-24cm3
    Surface Tension: 54.0±3.0 dyne/cm
    Molar Volume: 257.3±3.0 cm3

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