ChemSpider 2D Image | 3-{[(5-Bromo-6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]amino}-4-methoxy-3-methylbutanoic acid | C12H15BrN2O5

3-{[(5-Bromo-6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]amino}-4-methoxy-3-methylbutanoic acid

  • Molecular FormulaC12H15BrN2O5
  • Average mass347.162 Da
  • Monoisotopic mass346.016418 Da
  • ChemSpider ID54355907

More details:

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

3-{[(5-Brom-6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]amino}-4-methoxy-3-methylbutansäure [German] [ACD/IUPAC Name]
3-{[(5-Bromo-6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]amino}-4-methoxy-3-methylbutanoic acid [ACD/IUPAC Name]
Acide 3-{[(5-bromo-6-oxo-1,6-dihydro-3-pyridinyl)carbonyl]amino}-4-méthoxy-3-méthylbutanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 3-[[(5-bromo-1,6-dihydro-6-oxo-3-pyridinyl)carbonyl]amino]-4-methoxy-3-methyl- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 577.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 94.4±6.0 kJ/mol
Flash Point: 302.8±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 72.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -2.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.82
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 58.6±3.0 dyne/cm
Molar Volume: 219.6±3.0 cm3

Click to predict properties on the Chemicalize site


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