| 2D Structure | |
| CID | 10430 |
| Target | CYP2C19 , CYP2D6 , RXRA |
| IUPAC Name | 3-methylbutanoic acid |
| InChI | InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | GWYFCOCPABKNJV-UHFFFAOYSA-N |
| Canonical SMILES | CC(C)CC(=O)O |
| Isomeric SMILES | CC(C)CC(=O)O |
| Molecular Formula | C5H10O2 |
| Molecular Weight | 102.13 |
| synonyms | ['ISOVALERIC ACID', '503-74-2', 'Isopentanoic acid', '3-Methylbutyric acid', 'Delphinic acid', 'Isopropylacetic acid', 'Isovalerianic acid', 'Isobutylformic acid', 'Isovalerianic', 'beta-Methylbutyric acid', 'Acetic acid, isopropyl-', 'Butyric acid, 3-methyl-', 'Kyselina isovalerova', 'Isobutyl formic acid', 'Isovaleriansaeure', 'FEMA No. 3102', '3-methyl-n-butyric acid', 'Isovaleric acid (natural)', 'FEMA Number: 3102', '3-Methylbuttersaeure', 'NSC 62783', 'HSDB 629', 'EINECS 207-975-3', 'UNII-1BR7X184L5', 'BRN 1098522', 'DELPHINIC-ACID', 'DTXSID5029182', 'CHEBI:28484', 'AI3-24132', '1BR7X184L5', 'NSC-62783', 'DTXCID309182', 'EC 207-975-3', '4-02-00-00895 (Beilstein Handbook Reference)', 'ISOVALERIC ACID (MART.)', 'ISOVALERIC ACID [MART.]', '207-975-3', '3-Methylbutanoic acid', 'Butanoic acid, 3-methyl-', '3-Methylbutyrate', '3-methyl-butanoic acid', '3-methyl butyric acid', '3-methyl-butyric acid', 'MFCD00002726', '.beta.-Methylbutyric acid', '3,4-Diisovaleryl adrenaline', 'Butanoic acid, 3-methyl-, (R)-', 'IVA', 'Kyselina isovalerova [Czech]', '92634-50-9', 'METHYLBUTANOIC ACID', 'b-Methylbutyrate', 'iso-valeric acid', '3-Methylbutanoicacid', 'b-Methylbutyric acid', 'iso-C4H9COOH', 'Isovaleric acid, 99%', 'bmse000373', 'Isovaleric acid (Standard)', 'SCHEMBL43436', 'ISOVALERIC ACID [MI]', 'ISOVALERIC ACID [FCC]', 'ISOVALERIC ACID [FHFI]', 'ISOVALERIC ACID [HSDB]', 'CHEMBL568737', 'WLN: QV1Y1&1', 'ISOVALERIC ACID [WHO-DD]', 'BCP32116', 'HY-W012980R', 'NSC62783', 'STR08356', 'Isovaleric acid, analytical standard', 'Tox21_201604', 'BBL027399', 'Isovaleric acid (mixture of isomers)', 'LMFA01020181', 's6287', 'STL146358', 'AKOS000119861', 'Isovaleric acid, >=99%, FCC, FG', 'CS-W013696', 'DB03750', 'FM15957', 'HY-W012980', '3-Methylbutyric acid: isopropyl-Acetate', 'Isovaleric acid sodium salt (Salt/Mix)', 'Isovaleric acid, natural, >=98%, FG', 'NCGC00249082-01', 'NCGC00259153-01', '35915-22-1', 'CAS-503-74-2', '3-Methylbutyric acid: isopropyl-Acetic acid', 'M0182', 'NS00001831', 'EN300-19718', 'C08262', 'D78213', 'Q415536', 'F2191-0067', 'Z104474910', '3-Methylbutanoic acid;3-Methylbutyric acid;Isopentanoic acid', 'InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7'] |
From Pubchem