45F
Summary
| Name: | (4S)-4-(prop-2-yn-1-yloxy)-L-proline |
| Formula: | C8 H11 N O3 |
| Formal charge: | 0 |
| Formula weight: | 169.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4S)-4-(prop-2-yn-1-yloxy)-L-proline |
| OpenEye OEToolkits | 1.9.2 | (2S,4S)-4-prop-2-ynoxypyrrolidine-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C1NCC(OCC#C)C1 |
| InChI | InChI | 1.03 | InChI=1S/C8H11NO3/c1-2-3-12-6-4-7(8(10)11)9-5-6/h1,6-7,9H,3-5H2,(H,10,11)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZXFXGGZFTHVWKF-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@@H]1C[C@@H](CN1)OCC#C |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1C[CH](CN1)OCC#C |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | C#CCO[C@H]1C[C@H](NC1)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | C#CCOC1CC(NC1)C(=O)O |
