ChemSpider 2D Image | Methyl (2S)-2-[(cyclopentylcarbonyl)amino]-4-pentenoate | C12H19NO3

Methyl (2S)-2-[(cyclopentylcarbonyl)amino]-4-pentenoate

  • Molecular FormulaC12H19NO3
  • Average mass225.284 Da
  • Monoisotopic mass225.136490 Da
  • ChemSpider ID58802322

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-[(Cyclopentylcarbonyl)amino]-4-penténoate de méthyle [French] [ACD/IUPAC Name]
2007916-33-6 [RN]
4-Pentenoic acid, 2-[(cyclopentylcarbonyl)amino]-, methyl ester, (2S)- [ACD/Index Name]
Methyl (2S)-2-[(cyclopentylcarbonyl)amino]-4-pentenoate [ACD/IUPAC Name]
Methyl-(2S)-2-[(cyclopentylcarbonyl)amino]-4-pentenoat [German] [ACD/IUPAC Name]
(S)-Methyl 2-(Cyclopentanecarboxamido)Pent-4-Enoate
(s)-methyl 2-(cyclopentanecarboxamido)pent-4-enoate(wxc03609)
119844-67-6 [RN]
MFCD30471870

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 352.1±21.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.7±3.0 kJ/mol
    Flash Point: 166.7±22.1 °C
    Index of Refraction: 1.487
    Molar Refractivity: 60.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.45
    ACD/LogD (pH 5.5): 1.81
    ACD/BCF (pH 5.5): 14.04
    ACD/KOC (pH 5.5): 230.61
    ACD/LogD (pH 7.4): 1.81
    ACD/BCF (pH 7.4): 14.04
    ACD/KOC (pH 7.4): 230.61
    Polar Surface Area: 55 Å2
    Polarizability: 24.0±0.5 10-24cm3
    Surface Tension: 38.9±3.0 dyne/cm
    Molar Volume: 210.3±3.0 cm3

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