ChemSpider 2D Image | Methyl (1R,4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-cyclopentene-1-carboxylate | C12H19NO4

Methyl (1R,4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-cyclopentene-1-carboxylate

  • Molecular FormulaC12H19NO4
  • Average mass241.284 Da
  • Monoisotopic mass241.131409 Da
  • ChemSpider ID32790253

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,4R)-4-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-2-cyclopentène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-Cyclopentene-1-carboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-, methyl ester, (1R,4R)- [ACD/Index Name]
Methyl (1R,4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-cyclopentene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1R,4R)-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-cyclopenten-1-carboxylat [German] [ACD/IUPAC Name]
(1R,4R)-4-[[(1,1-Dimethylethoxy)carbonyl]amino]-2-cyclopentene-1-carboxylic Acid Methyl Ester
(1S,4R)-Methyl 4-((tert-butoxycarbonyl)amino)cyclopent-2-enecarboxylate
1236057-55-8 [RN]
168958-19-8 [RN]
MFCD30729673
trans-4-Boc-amino-2-cyclopentene-1-carboxylic acid methyl ester

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 331.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 154.1±27.9 °C
    Index of Refraction: 1.489
    Molar Refractivity: 62.8±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.58
    ACD/LogD (pH 5.5): 1.82
    ACD/BCF (pH 5.5): 14.32
    ACD/KOC (pH 5.5): 233.86
    ACD/LogD (pH 7.4): 1.82
    ACD/BCF (pH 7.4): 14.31
    ACD/KOC (pH 7.4): 233.85
    Polar Surface Area: 65 Å2
    Polarizability: 24.9±0.5 10-24cm3
    Surface Tension: 38.1±5.0 dyne/cm
    Molar Volume: 217.4±5.0 cm3

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