ChemSpider 2D Image | 2-Carboxy-N-[(1,1-dimethylethoxy)carbonyl]glycyl-β-alanine | C11H18N2O7

2-Carboxy-N-[(1,1-dimethylethoxy)carbonyl]glycyl-β-alanine

  • Molecular FormulaC11H18N2O7
  • Average mass290.270 Da
  • Monoisotopic mass290.111389 Da
  • ChemSpider ID21896569

More details:

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

1076199-16-0 [RN]
2-Carboxy-N-[(1,1-dimethylethoxy)carbonyl]glycyl-β-alanine
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-oxidanylideneseryl-β-alanine [ACD/IUPAC Name]
N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-oxidanylidenseryl-β-alanin [German] [ACD/IUPAC Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-3-oxydanylidèneséryl-β-alanine [French] [ACD/IUPAC Name]
β-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-3-oxidoseryl- [ACD/Index Name]
2-((tert-Butoxycarbonyl)amino)-3-((2-carboxyethyl)amino)-3-oxopropanoic acid
2-(N-BOC-AMINO)-3-(2-CARBOXYETHYLAMINO)-3-OXOPROPANOIC ACID
2-[(TERT-BUTOXYCARBONYL)AMINO]-2-[(2-CARBOXYETHYL)CARBAMOYL]ACETIC ACID
3-(2-carboxyethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropanoic 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: 595.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.6 mmHg at 25°C
    Enthalpy of Vaporization: 96.9±6.0 kJ/mol
    Flash Point: 313.9±30.1 °C
    Index of Refraction: 1.509
    Molar Refractivity: 65.1±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 4
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 0
    ACD/LogP: 0.46
    ACD/LogD (pH 5.5): -4.61
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -5.03
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 142 Å2
    Polarizability: 25.8±0.5 10-24cm3
    Surface Tension: 54.2±3.0 dyne/cm
    Molar Volume: 218.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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