2IQ
Summary
| Name: | 2-(hexylamino)ethanoic acid |
| Formula: | C8 H17 N O2 |
| Formal charge: | 0 |
| Formula weight: | 159.226 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(hexylamino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C8H17NO2/c1-2-3-4-5-6-9-7-8(10)11/h9H,2-7H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | DAQPDSNNUNDKNX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCNCC(O)=O |
| SMILES | CACTVS | 3.385 | CCCCCCNCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCCCCNCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCCCCCNCC(=O)O |
