bmse000982 2-Isopropylmalic acid at BMRB

2-Isopropylmalic acid

2-Isopropylmalic acid

alpha-isopropylmalate

2-hydroxy-2-isopropylsuccinic acid

3-isopropylmalate

butanedioic acid, 2-hydroxy-2-(1-methylethyl)

2-Hydroxy-2-(1-methylethyl)butanedioic acid

2-Hydroxy-2-isopropylsuccinic acid

3-carboxy-3-hydroxy-4-methylpentanoate

alpha-isopropylmalic acid

3-carboxy-3-hydroxyisocaproic acid

3-hydroxy-4-methyl-3-carboxypentanoate

InCHi String:
InChI=1S/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)

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

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-hydroxy-2-propan-2-ylbutanedioic acid

PUBCHEM iupac TRADITIONAL NAME
2-hydroxy-2-isopropyl-succinic acid

PUBCHEM iupac OPENEYE NAME
2-hydroxy-2-isopropyl-butanedioic acid

PUBCHEM iupac SYSTEMATIC NAME
2-oxidanyl-2-propan-2-yl-butanedioic acid

PubChem Substance (SID):   144080983   24438458   24860103
PubChem Compound (CID):   77
KEGG: Compound ID   n/a
CAS Registry IDs:   3237-44-3
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 3237-44-3   Beilstein Registry Number 26781   MMCD cq_01544   Sigma-Aldrich 333115_ALDRICH   ChemSpider 76   BIND 1084   ChemDB 6684461

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.