Obsolete: PKR
Summary
| Name: | (2S)-1-methylpyrrolidine-2-carbaldehyde |
| 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 | 1-methyl-L-proline |
| OpenEye OEToolkits | 1.7.0 | (1R,2S)-1-methylpyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1N(C)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.370 | CN1CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.370 | CN1CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | C[N@@]1CCC[C@H]1C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CN1CCCC1C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)/t5-/m0/s1 |
| InChIKey | InChI | 1.03 | CWLQUGTUXBXTLF-YFKPBYRVSA-N |
