ChemSpider 2D Image | (2S,2'S)-1,1'-(1,3-Propanediyl)di(2-pyrrolidinecarboxylic acid) | C13H22N2O4

(2S,2'S)-1,1'-(1,3-Propanediyl)di(2-pyrrolidinecarboxylic acid)

  • Molecular FormulaC13H22N2O4
  • Average mass270.325 Da
  • Monoisotopic mass270.157959 Da
  • ChemSpider ID24958101

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,2'S)-1,1'-(1,3-Propandiyl)di(2-pyrrolidincarbonsäure) [German] [ACD/IUPAC Name]
(2S,2'S)-1,1'-(1,3-Propanediyl)di(2-pyrrolidinecarboxylic acid) [ACD/IUPAC Name]
Acide (2S,2'S)-1,1'-(1,3-propanediyl)di(2-pyrrolidinecarboxylique) [French] [ACD/IUPAC Name]
(2S)-1-{3-[(2S)-2-CARBOXYPYRROLIDIN-1-YL]PROPYL}PYRROLIDINE-2-CARBOXYLIC ACID
(2S,2'S)-1,1'-(Propane-1,3-diyl)bis(pyrrolidine-2-carboxylic acid)
(S)-1-(3-((S)-2-Carboxypyrrolidin-1-yl)propyl)pyrrolidine-2-carboxylic acid
1263078-15-4 [RN]
97%
MFCD11053580

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 486.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 82.4±6.0 kJ/mol
    Flash Point: 247.9±28.7 °C
    Index of Refraction: 1.550
    Molar Refractivity: 68.2±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -0.04
    ACD/LogD (pH 5.5): -2.19
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 81 Å2
    Polarizability: 27.0±0.5 10-24cm3
    Surface Tension: 55.6±3.0 dyne/cm
    Molar Volume: 214.2±3.0 cm3

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