SMB
Summary
| Name: | 2-METHYLBUTANOIC ACID |
| Formula: | C5 H10 O2 |
| Formal charge: | 0 |
| Formula weight: | 102.132 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-methylbutanoic acid |
| OpenEye OEToolkits | 1.5.0 | (2S)-2-methylbutanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(C)CC |
| InChI | InChI | 1.03 | InChI=1S/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)/t4-/m0/s1 |
| InChIKey | InChI | 1.03 | WLAMNBDJUVNPJU-BYPYZUCNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@H](C)C(O)=O |
| SMILES | CACTVS | 3.385 | CC[CH](C)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.5 | CC[C@H](C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.5 | CCC(C)C(=O)O |
