JO3
Summary
| Name: | (2R)-2-methylbutanedioic acid |
| Formula: | C5 H8 O4 |
| Formal charge: | 0 |
| Formula weight: | 132.115 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2R)-2-methylbutanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2-methylbutanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CC(C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)/t3-/m1/s1 |
| InChIKey | InChI | 1.03 | WXUAQHNMJWJLTG-GSVOUGTGSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@H](CC(O)=O)C(O)=O |
| SMILES | CACTVS | 3.385 | C[CH](CC(O)=O)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC(CC(=O)O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC(CC(=O)O)C(=O)O |
