ChemSpider 2D Image | L-Asparaginyl-N-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-N-methylalaninamide | C12H22N6O5

L-Asparaginyl-N-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-N-methylalaninamide

  • Molecular FormulaC12H22N6O5
  • Average mass330.340 Da
  • Monoisotopic mass330.165161 Da
  • ChemSpider ID109121146

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

Alaninamide, L-asparaginyl-N-[[[(1S)-2-amino-1-methyl-2-oxoethyl]amino]carbonyl]-N-methyl- [ACD/Index Name]
L-Asparaginyl-N-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-N-methylalaninamid [German] [ACD/IUPAC Name]
L-Asparaginyl-N-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-N-methylalaninamide [ACD/IUPAC Name]
L-Asparaginyl-N-{[(2S)-1-amino-1-oxo-2-propanyl]carbamoyl}-N-méthylalaninamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.548
Molar Refractivity: 79.2±0.3 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -4.06
ACD/LogD (pH 5.5): -4.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.45
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 31.4±0.5 10-24cm3
Surface Tension: 60.7±3.0 dyne/cm
Molar Volume: 249.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement