ChemSpider 2D Image | 1-{N-Methyl-N-[2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoyl]glycyl}-3-piperidinecarboxylic acid | C16H23N5O6

1-{N-Methyl-N-[2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoyl]glycyl}-3-piperidinecarboxylic acid

  • Molecular FormulaC16H23N5O6
  • Average mass381.384 Da
  • Monoisotopic mass381.164825 Da
  • ChemSpider ID54374996

More details:

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

1-{N-Methyl-N-[2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoyl]glycyl}-3-piperidincarbonsäure [German] [ACD/IUPAC Name]
1-{N-Methyl-N-[2-methyl-2-(4-nitro-1H-pyrazol-1-yl)propanoyl]glycyl}-3-piperidinecarboxylic acid [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[2-[methyl[2-methyl-2-(4-nitro-1H-pyrazol-1-yl)-1-oxopropyl]amino]acetyl]- [ACD/Index Name]
Acide 1-{N-méthyl-N-[2-méthyl-2-(4-nitro-1H-pyrazol-1-yl)propanoyl]glycyl}-3-pipéridinecarboxylique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 642.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 342.1±31.5 °C
Index of Refraction: 1.630
Molar Refractivity: 95.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -0.83
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -2.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 142 Å2
Polarizability: 37.7±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 267.4±7.0 cm3

Click to predict properties on the Chemicalize site


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