ChemSpider 2D Image | (1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclobutanecarboxylic acid | C7H11NO4

(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclobutanecarboxylic acid

  • Molecular FormulaC7H11NO4
  • Average mass173.167 Da
  • Monoisotopic mass173.068802 Da
  • ChemSpider ID23276922

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclobutancarbonsäure [German] [ACD/IUPAC Name]
(1S,2R)-2-[(S)-Amino(carboxy)methyl]cyclobutanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2R)-2-[(S)-amino(carboxy)méthyl]cyclobutanecarboxylique [French] [ACD/IUPAC Name]
Cyclobutaneacetic acid, α-amino-2-carboxy-, (αS,1R,2S)- [ACD/Index Name]
(2S,1'R,2'S)-2-(2'-Carboxycyclobutyl)glycine
CHEMBL384474
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL384474/

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

Density: 1.5±0.1 g/cm3
Boiling Point: 414.0±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.2±6.0 kJ/mol
Flash Point: 204.2±21.8 °C
Index of Refraction: 1.578
Molar Refractivity: 38.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.76
ACD/LogD (pH 5.5): -3.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.16
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: 78.6±3.0 dyne/cm
Molar Volume: 117.1±3.0 cm3

Click to predict properties on the Chemicalize site


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