ChemSpider 2D Image | 3-({6-[(Cyclohexylcarbamoyl)amino]hexanoyl}amino)-2-hydroxy-2-methylpropanoic acid | C17H31N3O5

3-({6-[(Cyclohexylcarbamoyl)amino]hexanoyl}amino)-2-hydroxy-2-methylpropanoic acid

  • Molecular FormulaC17H31N3O5
  • Average mass357.445 Da
  • Monoisotopic mass357.226379 Da
  • ChemSpider ID54481829

More details:

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

3-({6-[(Cyclohexylcarbamoyl)amino]hexanoyl}amino)-2-hydroxy-2-methylpropanoic acid [ACD/IUPAC Name]
3-({6-[(Cyclohexylcarbamoyl)amino]hexanoyl}amino)-2-hydroxy-2-methylpropansäure [German] [ACD/IUPAC Name]
Acide 3-({6-[(cyclohexylcarbamoyl)amino]hexanoyl}amino)-2-hydroxy-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 3-[[6-[[(cyclohexylamino)carbonyl]amino]-1-oxohexyl]amino]-2-hydroxy-2-methyl- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 693.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 373.0±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.94
ACD/LogD (pH 5.5): -1.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 128 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 53.6±5.0 dyne/cm
Molar Volume: 299.3±5.0 cm3

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