ChemSpider 2D Image | 2-Methyl-2-propanyl 5-oxo-5-[4-(pentylcarbamoyl)-1-piperazinyl]-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}pentanoate | C31H43N5O5

2-Methyl-2-propanyl 5-oxo-5-[4-(pentylcarbamoyl)-1-piperazinyl]-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}pentanoate

  • Molecular FormulaC31H43N5O5
  • Average mass565.704 Da
  • Monoisotopic mass565.326416 Da
  • ChemSpider ID24651833

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperazinepentanoic acid, δ-oxo-4-[(pentylamino)carbonyl]-γ-[[(6-phenyl-2-pyridinyl)carbonyl]amino]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 5-oxo-5-[4-(pentylcarbamoyl)-1-piperazinyl]-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}pentanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-oxo-5-[4-(pentylcarbamoyl)-1-piperazinyl]-4-{[(6-phenyl-2-pyridinyl)carbonyl]amino}pentanoat [German] [ACD/IUPAC Name]
5-Oxo-5-[4-(pentylcarbamoyl)-1-pipérazinyl]-4-{[(6-phényl-2-pyridinyl)carbonyl]amino}pentanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
(4S)5-Oxo-5-{4-[(pentylamino)carbonyl]piperazin-1-yl}-4-{[(6-phenylpyridin-2-yl)carbonyl]amino}pentanoic acid

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

Density: 1.2±0.1 g/cm3
Boiling Point: 809.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 443.4±34.3 °C
Index of Refraction: 1.552
Molar Refractivity: 156.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.89
ACD/LogD (pH 5.5): 4.44
ACD/BCF (pH 5.5): 1385.92
ACD/KOC (pH 5.5): 6172.36
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1385.94
ACD/KOC (pH 7.4): 6172.45
Polar Surface Area: 121 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 48.2±3.0 dyne/cm
Molar Volume: 488.6±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement