PBE
Summary
| Name: | 1,1-DIMETHYL-PROLINIUM |
| Synonyms: | PROLINE BETAINE |
| Formula: | C7 H14 N O2 |
| Formal charge: | 1 |
| Formula weight: | 144.192 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (2S)-2-carboxy-1,1-dimethylpyrrolidinium |
| OpenEye OEToolkits | 1.5.0 | (2S)-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C1[N+](C)(C)CCC1 |
| SMILES_CANONICAL | CACTVS | 3.341 | C[N+]1(C)CCC[C@H]1C(O)=O |
| SMILES | CACTVS | 3.341 | C[N+]1(C)CCC[CH]1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCC[C@H]1C(=O)O)C |
| SMILES | OpenEye OEToolkits | 1.5.0 | C[N+]1(CCCC1C(=O)O)C |
| InChI | InChI | 1.03 | InChI=1S/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3/p+1/t6-/m0/s1 |
| InChIKey | InChI | 1.03 | CMUNUTVVOOHQPW-LURJTMIESA-O |
