1LU
Summary
| Name: | (2S)-2-hydroxy-4-methyl-pentanoic acid |
| Formula: | C6 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 132.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2S)-2-hydroxy-4-methylpentanoic acid |
| OpenEye OEToolkits | 1.7.0 | (2S)-2-hydroxy-4-methyl-pentanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(O)CC(C)C |
| SMILES_CANONICAL | CACTVS | 3.370 | CC(C)C[C@H](O)C(O)=O |
| SMILES | CACTVS | 3.370 | CC(C)C[CH](O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CC(C)C[C@@H](C(=O)O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CC(C)CC(C(=O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H12O3/c1-4(2)3-5(7)6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | LVRFTAZAXQPQHI-YFKPBYRVSA-N |
