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Search term: SMEVVLDJQVBSIM-SGAXSIHGSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-[(3-Cyclopentylpropanoyl)amino]-2-butenoic acid | C12H19NO3

(2Z)-2-[(3-Cyclopentylpropanoyl)amino]-2-butenoic acid

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID23111397

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(3-Cyclopentylpropanoyl)amino]-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-[(3-Cyclopentylpropanoyl)amino]-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-[(3-cyclopentyl-1-oxopropyl)amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-[(3-cyclopentylpropanoyl)amino]-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-2-[(3-cyclopentylpropanoyl)amino]but-2-enoic acid
2-(3-Cyclopentyl-propionylamino)-but-2-enoic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 79.9±6.0 kJ/mol
Flash Point: 236.3±26.5 °C
Index of Refraction: 1.510
Molar Refractivity: 60.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.82
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.40
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 66 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 202.8±3.0 cm3

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