6IW
Summary
| Name: | (2S,4S)-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
| Formula: | C6 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 145.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S},4~{S})-1-methyl-4-oxidanyl-pyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO3/c1-7-3-4(8)2-5(7)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)/t4-,5-/m0/s1 |
| InChIKey | InChI | 1.06 | FMIPNAUMSPFTHK-WHFBIAKZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1C[C@@H](O)C[C@H]1C(O)=O |
| SMILES | CACTVS | 3.385 | CN1C[CH](O)C[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1C[C@H](C[C@H]1C(=O)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CN1CC(CC1C(=O)O)O |
