A1BQQ
Summary
| Name: | 2-{(3R)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}acetamide |
| Formula: | C15 H20 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 276.331 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 2-{(3R)-1-[(2-methoxyphenyl)acetyl]pyrrolidin-3-yl}acetamide |
| OpenEye OEToolkits | 3.1.0.0 | 2-[(3~{S})-1-[2-(2-methoxyphenyl)ethanoyl]pyrrolidin-3-yl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(Cc1ccccc1OC)N1CCC(CC(N)=O)C1 |
| InChI | InChI | 1.06 | InChI=1S/C15H20N2O3/c1-20-13-5-3-2-4-12(13)9-15(19)17-7-6-11(10-17)8-14(16)18/h2-5,11H,6-10H2,1H3,(H2,16,18) |
| InChIKey | InChI | 1.06 | MSPWRYALONZABD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CC(=O)N2CC[C@H](C2)CC(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CC(=O)N2CC[CH](C2)CC(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CC(=O)N2CC[C@H](C2)CC(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CC(=O)N2CCC(C2)CC(=O)N |
