A1BTD
Summary
| Name: | (3S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| Formula: | C13 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 248.278 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | (3S)-1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide |
| OpenEye OEToolkits | 3.1.0.0 | (3~{S})-1-[(2-methoxyphenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | NC(=O)C1CC(=O)N(Cc2ccccc2OC)C1 |
| InChI | InChI | 1.06 | InChI=1S/C13H16N2O3/c1-18-11-5-3-2-4-9(11)7-15-8-10(13(14)17)6-12(15)16/h2-5,10H,6-8H2,1H3,(H2,14,17)/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | OROYSOLBVZCRAY-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccccc1CN2C[C@H](CC2=O)C(N)=O |
| SMILES | CACTVS | 3.385 | COc1ccccc1CN2C[CH](CC2=O)C(N)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CN2C[C@H](CC2=O)C(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | COc1ccccc1CN2CC(CC2=O)C(=O)N |
