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 |