Found 1 result

Search term: CQBPSJKTOQDOAZ-YWEYNIOJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2Z)-2-{[N-(3-Methylbutanoyl)glycyl]amino}-2-butenoic acid | C11H18N2O4

(2Z)-2-{[N-(3-Methylbutanoyl)glycyl]amino}-2-butenoic acid

  • Molecular FormulaC11H18N2O4
  • Average mass242.272 Da
  • Monoisotopic mass242.126663 Da
  • ChemSpider ID23111564

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-{[N-(3-Methylbutanoyl)glycyl]amino}-2-butenoic acid [ACD/IUPAC Name]
(2Z)-2-{[N-(3-Methylbutanoyl)glycyl]amino}-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 2-[[2-[(3-methyl-1-oxobutyl)amino]acetyl]amino]-, (2Z)- [ACD/Index Name]
Acide (2Z)-2-{[N-(3-méthylbutanoyl)glycyl]amino}-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-2-{[N-(3-methylbutanoyl)glycyl]amino}but-2-enoic acid
2-[2-(3-Methyl-butyrylamino)-acetylamino]-but-2-enoic 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: 570.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 93.5±6.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.498
Molar Refractivity: 61.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.85
ACD/LogD (pH 5.5): -1.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 96 Å2
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 42.9±3.0 dyne/cm
Molar Volume: 210.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement