ChemSpider 2D Image | 3-{[(2E)-4-Methoxy-4-oxo-2-butenoyl]amino}-D-alanyl-L-leucine | C14H23N3O6

3-{[(2E)-4-Methoxy-4-oxo-2-butenoyl]amino}-D-alanyl-L-leucine

  • Molecular FormulaC14H23N3O6
  • Average mass329.349 Da
  • Monoisotopic mass329.158691 Da
  • ChemSpider ID23142094

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

3-{[(2E)-4-Methoxy-4-oxo-2-butenoyl]amino}-D-alanyl-L-leucin [German] [ACD/IUPAC Name]
3-{[(2E)-4-Methoxy-4-oxo-2-butenoyl]amino}-D-alanyl-L-leucine [ACD/IUPAC Name]
3-{[(2E)-4-Méthoxy-4-oxo-2-butenoyl]amino}-D-alanyl-L-leucine [French] [ACD/IUPAC Name]
L-Leucine, 3-[[(2E)-4-methoxy-1,4-dioxo-2-buten-1-yl]amino]-D-alanyl- [ACD/Index Name]
2-[2-Amino-3-(3-methoxycarbonyl-acryloylamino)-propionylamino]-4-methyl-pentanoic acid (FMDP-Leu)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 635.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 102.5±6.0 kJ/mol
Flash Point: 338.4±31.5 °C
Index of Refraction: 1.516
Molar Refractivity: 81.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -3.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 268.0±3.0 cm3

Click to predict properties on the Chemicalize site


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