A1B09
Summary
| Name: | 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one |
| Formula: | C13 H17 N O3 |
| Formal charge: | 0 |
| Formula weight: | 235.279 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethan-1-one |
| OpenEye OEToolkits | 3.1.0.0 | 2-(2-methoxyphenyl)-1-[(3~{R})-3-oxidanylpyrrolidin-1-yl]ethanone |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC1CCN(C1)C(=O)Cc1ccccc1OC |
| InChI | InChI | 1.06 | InChI=1S/C13H17NO3/c1-17-12-5-3-2-4-10(12)8-13(16)14-7-6-11(15)9-14/h2-5,11,15H,6-9H2,1H3 |
| InChIKey | InChI | 1.06 | MYUHZHXRZFYTPE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CC(=O)N2CC[C@@H](O)C2 |
| SMILES | CACTVS | 3.385 | COc1ccccc1CC(=O)N2CC[CH](O)C2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CC(=O)N2CC[C@H](C2)O |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CC(=O)N2CCC(C2)O |
