ChemSpider 2D Image | N-({3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetyl)-L-isoleucine | C18H29NO4

N-({3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetyl)-L-isoleucine

  • Molecular FormulaC18H29NO4
  • Average mass323.427 Da
  • Monoisotopic mass323.209656 Da
  • ChemSpider ID48061245

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 4 defined stereocentres

More details:

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

L-Isoleucine, N-[2-[3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl]acetyl]- [ACD/Index Name]
N-({3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetyl)-L-isoleucin [German] [ACD/IUPAC Name]
N-({3-Oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}acetyl)-L-isoleucine [ACD/IUPAC Name]
N-(2-{3-Oxo-2-[(2Z)-2-pentén-1-yl]cyclopentyl}acétyl)-L-isoleucine [French] [ACD/IUPAC Name]
1429818-45-0 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 527.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 272.8±24.6 °C
Index of Refraction: 1.496
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.29
ACD/LogD (pH 5.5): -0.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.09
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 83 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 303.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement