3WX
Summary
| Name: | 2-methyl-L-proline |
| Formula: | C6 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 129.157 Da |
| Component type: | peptide-like |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-methyl-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S)-2-methylpyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1(NCCC1)C |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO2/c1-6(5(8)9)3-2-4-7-6/h7H,2-4H2,1H3,(H,8,9)/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | LWHHAVWYGIBIEU-LURJTMIESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@]1(CCCN1)C(O)=O |
| SMILES | CACTVS | 3.385 | C[C]1(CCCN1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C[C@]1(CCCN1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | CC1(CCCN1)C(=O)O |
