ChemSpider 2D Image | 6-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)carbonyl]amino}hexanoic acid | C17H30N2O5

6-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)carbonyl]amino}hexanoic acid

  • Molecular FormulaC17H30N2O5
  • Average mass342.431 Da
  • Monoisotopic mass342.215485 Da
  • ChemSpider ID21786353

More details:






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

1-Piperidinecarboxylic acid, 3-[[(5-carboxypentyl)amino]carbonyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
6-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)carbonyl]amino}hexanoic acid [ACD/IUPAC Name]
6-{[(1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl)carbonyl]amino}hexansäure [German] [ACD/IUPAC Name]
Acide 6-{[(1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinyl)carbonyl]amino}hexanoïque [French] [ACD/IUPAC Name]
6-({[1-(tert-butoxycarbonyl)piperidin-3-yl]carbonyl}amino)hexanoic acid

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 90.8±6.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.501
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 2.76
ACD/KOC (pH 5.5): 41.89
ACD/LogD (pH 7.4): -0.65
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.3±3.0 dyne/cm
Molar Volume: 301.9±3.0 cm3

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