ChemSpider 2D Image | 3-[(1R,2R)-2-Carboxycyclopropyl]-D-alanine | C7H11NO4

3-[(1R,2R)-2-Carboxycyclopropyl]-D-alanine

  • Molecular FormulaC7H11NO4
  • Average mass173.167 Da
  • Monoisotopic mass173.068802 Da
  • ChemSpider ID62960355

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3-[(1R,2R)-2-Carboxycyclopropyl]-D-alanin [German] [ACD/IUPAC Name]
3-[(1R,2R)-2-Carboxycyclopropyl]-D-alanine [ACD/IUPAC Name]
3-[(1R,2R)-2-Carboxycyclopropyl]-D-alanine [French] [ACD/IUPAC Name]
Cyclopropanepropanoic acid, α-amino-2-carboxy-, (αR,1R,2R)- [ACD/Index Name]
127515-30-4 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 410.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 202.3±21.8 °C
Index of Refraction: 1.573
Molar Refractivity: 39.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -1.05
ACD/LogD (pH 5.5): -3.65
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 15.4±0.5 10-24cm3
Surface Tension: 75.7±3.0 dyne/cm
Molar Volume: 118.2±3.0 cm3

Click to predict properties on the Chemicalize site


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