Found 4 results

Search term: LJGFIWDOHOWUOY (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3S)-1-Methyl-3-pyrrolidinecarboxylic acid | C6H11NO2

(3S)-1-Methyl-3-pyrrolidinecarboxylic acid

  • Molecular FormulaC6H11NO2
  • Average mass129.157 Da
  • Monoisotopic mass129.078979 Da
  • ChemSpider ID28536878

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-Methyl-3-pyrrolidincarbonsäure [German] [ACD/IUPAC Name]
(3S)-1-Methyl-3-pyrrolidinecarboxylic acid [ACD/IUPAC Name]
(3S)-1-methylpyrrolidine-3-carboxylic acid
3-Pyrrolidinecarboxylic acid, 1-methyl-, (3S)- [ACD/Index Name]
952484-58-1 [RN]
Acide (3S)-1-méthyl-3-pyrrolidinecarboxylique [French] [ACD/IUPAC Name]
(S)-1-Methylpyrrolidine-3-carboxylic acid
(S)-1-METHYLPYRROLIDINE-3-CARBOXYLICACID
[952484-58-1] [RN]
1-Methylpyrrolidine-3-carboxylic acid
More...

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

MFCD09055221 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 227.1±33.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 51.1±6.0 kJ/mol
    Flash Point: 91.1±25.4 °C
    Index of Refraction: 1.498
    Molar Refractivity: 32.8±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.08
    ACD/LogD (pH 5.5): -2.59
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.58
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 41 Å2
    Polarizability: 13.0±0.5 10-24cm3
    Surface Tension: 43.2±3.0 dyne/cm
    Molar Volume: 112.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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