L71
Summary
| Name: | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
| Formula: | C13 H16 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 232.278 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione |
| OpenEye OEToolkits | 1.7.6 | (3S)-3-[3-(aminomethyl)phenyl]-1-ethyl-pyrrolidine-2,5-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C2N(C(=O)CC2c1cccc(c1)CN)CC |
| InChI | InChI | 1.03 | InChI=1S/C13H16N2O2/c1-2-15-12(16)7-11(13(15)17)10-5-3-4-9(6-10)8-14/h3-6,11H,2,7-8,14H2,1H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | AJBOSGPUTQMKJM-NSHDSACASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)C[C@H](C1=O)c2cccc(CN)c2 |
| SMILES | CACTVS | 3.385 | CCN1C(=O)C[CH](C1=O)c2cccc(CN)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)C[C@H](C1=O)c2cccc(c2)CN |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCN1C(=O)CC(C1=O)c2cccc(c2)CN |
