Chemical Component Summary

Name2-METHYL-PROPIONIC ACID
Identifiers2-methylpropanoic acid
FormulaC4 H8 O2
Molecular Weight88.105
TypeNON-POLYMER
Isomeric SMILESCC(C)C(=O)O
InChIInChI=1S/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
InChIKeyKQNPFQTWMSNSAP-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count14
Chiral Atom Count0
Bond Count13
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB02531 
NameIsobutyric acid
Groups experimental
Synonyms
  • Isopropylformic acid
  • Isobutyrate
  • α-methylpropionic acid
  • Dimethylacetic acid
  • 2-Methylpropanoic acid
Categories
  • Acids, Acyclic
  • Butyrates
  • Fatty Acids
  • Fatty Acids, Volatile
  • Lipids
CAS number79-31-2

Drug Targets

NameTarget SequencePharmacological ActionActions
2-hydroxy-6-oxo-7-methylocta-2,4-dienoate hydrolaseMANLEIGKSILAAGVLTNYHDVGEGQPVILIHGSGPGVSAYANWRLTIPA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 6590
ChEMBL CHEMBL108778
ChEBI CHEBI:16135
CCDC/CSD OCEGEL, FAPNEQ