0XC
Summary
| Name: | (2E)-6-amino-2-iminohexanoic acid |
| Formula: | C6 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 144.172 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2E)-6-amino-2-iminohexanoic acid |
| OpenEye OEToolkits | 1.7.6 | 6-azanyl-2-azanylidene-hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C(=[N@H])CCCCN |
| InChI | InChI | 1.03 | InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h8H,1-4,7H2,(H,9,10)/b8-5+ |
| InChIKey | InChI | 1.03 | ONJCPSHPCDMDIU-VMPITWQZSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | NCCCCC(=N)C(O)=O |
| SMILES | CACTVS | 3.370 | NCCCCC(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(\CCCCN)/C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CCN)CC(=N)C(=O)O |
