ChemSpider 2D Image | (2S)-4-Methoxy-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)carbamoyl]amino}-4-oxobutanoic acid (non-preferred name) | C9H13N5O5

(2S)-4-Methoxy-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)carbamoyl]amino}-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC9H13N5O5
  • Average mass271.230 Da
  • Monoisotopic mass271.091675 Da
  • ChemSpider ID37197046

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-4-Methoxy-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)carbamoyl]amino}-4-oxobutanoic acid (non-preferred name) [ACD/IUPAC Name]
(2S)-4-Methoxy-2-{[(1-methyl-1H-1,2,4-triazol-5-yl)carbamoyl]amino}-4-oxobutansäure (non-preferred name) [German] [ACD/IUPAC Name]
Acide (2S)-4-méthoxy-2-{[(1-méthyl-1H-1,2,4-triazol-5-yl)carbamoyl]amino}-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
L-Aspartic acid, N-[[(1-methyl-1H-1,2,4-triazol-5-yl)amino]carbonyl]-, 4-methyl ester [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 62.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.98
ACD/LogD (pH 5.5): -3.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 172.6±7.0 cm3

Click to predict properties on the Chemicalize site


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