TZR
Summary
| Name: | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one |
| Formula: | C13 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 219.28 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[(3R,4R)-3-(hydroxymethyl)-4-phenylpyrrolidin-1-yl]ethan-1-one |
| OpenEye OEToolkits | 2.0.7 | 1-[(3~{R},4~{R})-3-(hydroxymethyl)-4-phenyl-pyrrolidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCC1CN(CC1c1ccccc1)C(=O)C |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO2/c1-10(16)14-7-12(9-15)13(8-14)11-5-3-2-4-6-11/h2-6,12-13,15H,7-9H2,1H3/t12-,13+/m1/s1 |
| InChIKey | InChI | 1.06 | AHYYDCAAWMKXAQ-OLZOCXBDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1C[C@H](CO)[C@@H](C1)c2ccccc2 |
| SMILES | CACTVS | 3.385 | CC(=O)N1C[CH](CO)[CH](C1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(=O)N1C[C@@H]([C@@H](C1)c2ccccc2)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(=O)N1CC(C(C1)c2ccccc2)CO |
