ChemSpider 2D Image | 3-[(S)-Amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid | C8H11NO4

3-[(S)-Amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid

  • Molecular FormulaC8H11NO4
  • Average mass185.177 Da
  • Monoisotopic mass185.068802 Da
  • ChemSpider ID74044595

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

3-[(S)-Amino(carboxy)methyl]bicyclo[1.1.1]pentan-1-carbonsäure [German] [ACD/IUPAC Name]
3-[(S)-Amino(carboxy)methyl]bicyclo[1.1.1]pentane-1-carboxylic acid [ACD/IUPAC Name]
Acide 3-[(S)-amino(carboxy)méthyl]bicyclo[1.1.1]pentane-1-carboxylique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, α-amino-3-carboxy-, (αS)- [ACD/Index Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 412.9±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.0±6.0 kJ/mol
Flash Point: 203.5±21.8 °C
Index of Refraction: 1.714
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.51
ACD/LogD (pH 5.5): -3.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 130.1±3.0 dyne/cm
Molar Volume: 105.4±3.0 cm3

Click to predict properties on the Chemicalize site


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