ChemSpider 2D Image | (2S)-2-{[(1H-Tetrazol-5-ylmethyl)carbamoyl]amino}butanoic acid | C7H12N6O3

(2S)-2-{[(1H-Tetrazol-5-ylmethyl)carbamoyl]amino}butanoic acid

  • Molecular FormulaC7H12N6O3
  • Average mass228.209 Da
  • Monoisotopic mass228.097092 Da
  • ChemSpider ID37067179

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-{[(1H-Tetrazol-5-ylmethyl)carbamoyl]amino}butanoic acid [ACD/IUPAC Name]
(2S)-2-{[(1H-Tetrazol-5-ylmethyl)carbamoyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide (2S)-2-{[(1H-tétrazol-5-ylméthyl)carbamoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 2-[[[(1H-tetrazol-5-ylmethyl)amino]carbonyl]amino]-, (2S)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.578
Molar Refractivity: 51.8±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -1.49
ACD/LogD (pH 5.5): -3.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 133 Å2
Polarizability: 20.5±0.5 10-24cm3
Surface Tension: 79.0±3.0 dyne/cm
Molar Volume: 156.0±3.0 cm3

Click to predict properties on the Chemicalize site


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