ChemSpider 2D Image | 3-(Isonicotinoylamino)-2-(3-methylbenzyl)propanoic acid | C17H18N2O3

3-(Isonicotinoylamino)-2-(3-methylbenzyl)propanoic acid

  • Molecular FormulaC17H18N2O3
  • Average mass298.336 Da
  • Monoisotopic mass298.131744 Da
  • ChemSpider ID62257152

More details:

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

3-(Isonicotinoylamino)-2-(3-methylbenzyl)propanoic acid [ACD/IUPAC Name]
3-(Isonicotinoylamino)-2-(3-methylbenzyl)propansäure [German] [ACD/IUPAC Name]
Acide 3-(isonicotinoylamino)-2-(3-méthylbenzyl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 3-methyl-α-[[(4-pyridinylcarbonyl)amino]methyl]- [ACD/Index Name]
2-[(3-METHYLPHENYL)METHYL]-3-(PYRIDIN-4-YLFORMAMIDO)PROPANOIC ACID
2-[(3-METHYLPHENYL)METHYL]-3-[(PYRIDIN-4-YL)FORMAMIDO]PROPANOIC ACID

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

Density: 1.2±0.1 g/cm3
Boiling Point: 573.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.5±3.0 kJ/mol
Flash Point: 300.9±30.1 °C
Index of Refraction: 1.592
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 0.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.99
ACD/LogD (pH 7.4): -1.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 79 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

Click to predict properties on the Chemicalize site


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