Structure database (LMSD)

  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMFA01140022
Common NameAleprolic acid
Systematic Name(2-cyclopenten-1-yl)-carboxylic acid
Synonymscyclopent-2-enyl -1-oic acid; 2-cyclopentenyl-1-oic acid
Exact Mass
112.0524 (neutral)    Calculate m/z:
FormulaC6H8O2
CategoryFatty Acyls [FA]
Main ClassFatty Acids and Conjugates [FA01]
Sub ClassCarbocyclic fatty acids [FA0114]
Alternative ClassesUnsaturated fatty acids[FA0103]
PubChem CID549171
PlantFA ID10215
InChIKeyMOMBAXHNIPLMSI-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C6H8O2/c7-6(8)5-3-1-2-4-5/h1,3,5H,2,4H2,(H,7,8)
SMILESC1(C=CCC1)C(=O)O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms8Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
112.30Topological Polar
Surface Area
37.30Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
2
 logP1.04Molar
Refractivity
29.50