2IT
Summary
| Name: | (2Z)-2-iminopentanedioic acid |
| Formula: | C5 H7 N O4 |
| Formal charge: | 0 |
| Formula weight: | 145.113 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (2Z)-2-iminopentanedioic acid |
| OpenEye OEToolkits | 1.7.6 | 2-azanylidenepentanedioic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC(=[N@H])C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C5H7NO4/c6-3(5(9)10)1-2-4(7)8/h6H,1-2H2,(H,7,8)(H,9,10)/b6-3- |
| InChIKey | InChI | 1.03 | UZWLXPOZNAJCJV-UTCJRWHESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCC(=N)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)CCC(=N)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | [H]/N=C(/CCC(=O)O)\C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C(CC(=O)O)C(=N)C(=O)O |
