ChemSpider 2D Image | (1S,2S)-1-Amino-1,2-cyclopropanedicarboxylic acid | C5H7NO4

(1S,2S)-1-Amino-1,2-cyclopropanedicarboxylic acid

  • Molecular FormulaC5H7NO4
  • Average mass145.113 Da
  • Monoisotopic mass145.037506 Da
  • ChemSpider ID24191271

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-1-Amino-1,2-cyclopropandicarbonsäure [German] [ACD/IUPAC Name]
(1S,2S)-1-Amino-1,2-cyclopropanedicarboxylic acid [ACD/IUPAC Name]
1,2-Cyclopropanedicarboxylic acid, 1-amino-, (1S,2S)- [ACD/Index Name]
Acide (1S,2S)-1-amino-1,2-cyclopropanedicarboxylique [French] [ACD/IUPAC Name]
(1S,2S)-1-aminocyclopropane-1,2-dicarboxylic acid
1,2-Cyclopropanedicarboxylic acid, 1-amino-, cis- (9CI)
132245-71-7 [RN]
134098-41-2 [RN]
MFCD19237922

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 340.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 64.1±6.0 kJ/mol
    Flash Point: 159.4±27.9 °C
    Index of Refraction: 1.622
    Molar Refractivity: 29.5±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -1.85
    ACD/LogD (pH 5.5): -4.14
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -4.76
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 101 Å2
    Polarizability: 11.7±0.5 10-24cm3
    Surface Tension: 106.4±3.0 dyne/cm
    Molar Volume: 83.7±3.0 cm3

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