LXO
Summary
| Name: | 4-(pyridin-4-ylamino)butanoic acid |
| Formula: | C9 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 180.204 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 4-(pyridin-4-ylamino)butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H12N2O2/c12-9(13)2-1-5-11-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5H2,(H,10,11)(H,12,13) |
| InChIKey | InChI | 1.06 | HPDCDJWQNLPXFS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCNc1ccncc1 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCNc1ccncc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cnccc1NCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cnccc1NCCCC(=O)O |
