ChemSpider 2D Image | N-[(3R,4R)-1-(N-Carbamoylglycyl)-3-hydroxy-4-piperidinyl]-5-methyl-1,2-oxazole-3-carboxamide | C13H19N5O5

N-[(3R,4R)-1-(N-Carbamoylglycyl)-3-hydroxy-4-piperidinyl]-5-methyl-1,2-oxazole-3-carboxamide

  • Molecular FormulaC13H19N5O5
  • Average mass325.320 Da
  • Monoisotopic mass325.138611 Da
  • ChemSpider ID52585716

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-Isoxazolecarboxamide, N-[(3R,4R)-1-[2-[(aminocarbonyl)amino]acetyl]-3-hydroxy-4-piperidinyl]-5-methyl- [ACD/Index Name]
N-[(3R,4R)-1-(N-Carbamoylglycyl)-3-hydroxy-4-piperidinyl]-5-methyl-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]
N-[(3R,4R)-1-(N-Carbamoylglycyl)-3-hydroxy-4-piperidinyl]-5-methyl-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
N-[(3R,4R)-1-(N-Carbamoylglycyl)-3-hydroxy-4-pipéridinyl]-5-méthyl-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
N-{(3R*,4R*)-1-[N-(aminocarbonyl)glycyl]-3-hydroxypiperidin-4-yl}-5-methylisoxazole-3-carboxamide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 660.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 353.3±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 77.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -3.22
ACD/LogD (pH 5.5): -1.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.10
ACD/LogD (pH 7.4): -1.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.10
Polar Surface Area: 151 Å2
Polarizability: 30.9±0.5 10-24cm3
Surface Tension: 76.2±5.0 dyne/cm
Molar Volume: 225.1±5.0 cm3

Click to predict properties on the Chemicalize site


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