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Search term: JCAUQKQYXWAWQZ-WTKPLQERSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-[(5-Methoxy-3-methylpentanoyl)amino]-2-butenoic acid | C11H19NO4

(2Z)-2-[(5-Methoxy-3-methylpentanoyl)amino]-2-butenoic acid

  • Molecular FormulaC11H19NO4
  • Average mass229.273 Da
  • Monoisotopic mass229.131409 Da
  • ChemSpider ID23111540

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(5-Methoxy-3-methylpentanoyl)amino]-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-[(5-Methoxy-3-methylpentanoyl)amino]-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-[(5-methoxy-3-methyl-1-oxopentyl)amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-[(5-méthoxy-3-méthylpentanoyl)amino]-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-2-[(5-methoxy-3-methylpentanoyl)amino]but-2-enoic acid
2-(5-Methoxy-3-methyl-pentanoylamino)-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: 448.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±6.0 kJ/mol
Flash Point: 224.7±28.7 °C
Index of Refraction: 1.479
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): -0.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.21
ACD/LogD (pH 7.4): -2.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 210.8±3.0 cm3

Click to predict properties on the Chemicalize site


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