1QQ
Summary
| Name: | (3S)-3-methyl-2-oxopentanoic acid |
| Formula: | C6 H10 O3 |
| Formal charge: | 0 |
| Formula weight: | 130.142 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-methyl-2-oxopentanoic acid |
| OpenEye OEToolkits | 1.7.0 | (3S)-3-methyl-2-oxo-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(C(=O)O)C(C)CC |
| SMILES_CANONICAL | CACTVS | 3.370 | CC[C@H](C)C(=O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC[CH](C)C(=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC[C@H](C)C(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCC(C)C(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | JVQYSWDUAOAHFM-BYPYZUCNSA-N |
