2-Hydroxyisocaproic acid

• 2-Hydroxyisocaproic acid
• bmse000338 - data

InCHi String:
InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)

canonical and isomeric SMILES:
CC(C)CC(C(=O)O)O


PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-hydroxy-4-methylpentanoic acid

PUBCHEM iupac TRADITIONAL NAME
2-hydroxy-4-methyl-valeric acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
2-hydroxy-4-methyl-pentanoic acid



PubChem Substance (SID):   85165138   4617518   10351521
PubChem Compound (CID):   92779
KEGG: Compound ID   n/a
CAS Registry IDs:   54641-21-3   10303-64-7   26671-68-1   498-36-2
PDB Chemical Component   1LU   OLE
Miscellaneous Databases and IDs:   ChemIDplus 000498362   ChemSpider 83753   NIST 3673653695   DiscoveryGate 92779   EINECS 207-860-8   Sigma-Aldrich 219819_ALDRICH   ChemDB 6047663