ChemSpider 2D Image | (2S)-2-[(3R)-3-Benzyl-2-oxo-1-piperazinyl]hexanoic acid | C17H24N2O3

(2S)-2-[(3R)-3-Benzyl-2-oxo-1-piperazinyl]hexanoic acid

  • Molecular FormulaC17H24N2O3
  • Average mass304.384 Da
  • Monoisotopic mass304.178680 Da
  • ChemSpider ID59051562

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S)-2-[(3R)-3-Benzyl-2-oxo-1-piperazinyl]hexanoic acid [ACD/IUPAC Name]
(2S)-2-[(3R)-3-Benzyl-2-oxo-1-piperazinyl]hexansäure [German] [ACD/IUPAC Name]
1-Piperazineacetic acid, α-butyl-2-oxo-3-(phenylmethyl)-, (αS,3R)- [ACD/Index Name]
Acide (2S)-2-[(3R)-3-benzyl-2-oxo-1-pipérazinyl]hexanoïque [French] [ACD/IUPAC Name]
ETHYLAMINOBENZYLMETHYLCARBONYL GROUP

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

Density: 1.1±0.1 g/cm3
Boiling Point: 512.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 263.7±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 84.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.63
ACD/LogD (pH 7.4): -0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 70 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 264.6±3.0 cm3

Click to predict properties on the Chemicalize site


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