ChemSpider 2D Image | N-[(4-Carboxy-1-methyl-1H-pyrazol-5-yl)carbonyl]methionine | C11H15N3O5S

N-[(4-Carboxy-1-methyl-1H-pyrazol-5-yl)carbonyl]methionine

  • Molecular FormulaC11H15N3O5S
  • Average mass301.319 Da
  • Monoisotopic mass301.073242 Da
  • ChemSpider ID23722687

More details:

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

Methionine, N-[(4-carboxy-1-methyl-1H-pyrazol-5-yl)carbonyl]- [ACD/Index Name]
N-[(4-Carboxy-1-methyl-1H-pyrazol-5-yl)carbonyl]methionin [German] [ACD/IUPAC Name]
N-[(4-Carboxy-1-methyl-1H-pyrazol-5-yl)carbonyl]methionine [ACD/IUPAC Name]
N-[(4-Carboxy-1-méthyl-1H-pyrazol-5-yl)carbonyl]méthionine [French] [ACD/IUPAC Name]
5-(1-Carboxy-3-methylsulfanyl-propylcarbamoyl)-1-methyl-1H-pyrazole-4-carboxylic acid
5-[N-(1-carboxy-3-methylthiopropyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
5-{[1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID
5-{[1-CARBOXY-3-(METHYLSULFANYL)PROPYL]CARBAMOYL}-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID

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

Density: 1.5±0.1 g/cm3
Boiling Point: 648.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.5±3.0 kJ/mol
Flash Point: 346.2±31.5 °C
Index of Refraction: 1.642
Molar Refractivity: 72.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -1.00
ACD/LogD (pH 5.5): -4.27
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 147 Å2
Polarizability: 28.7±0.5 10-24cm3
Surface Tension: 61.0±7.0 dyne/cm
Molar Volume: 200.6±7.0 cm3

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