A1BWD
Summary
| Name: | 4-[(2-hydroxyethyl)amino]-4-oxobutanoic acid |
| Formula: | C6 H11 N O4 |
| Formal charge: | 0 |
| Formula weight: | 161.156 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 4-[(2-hydroxyethyl)amino]-4-oxobutanoic acid |
| OpenEye OEToolkits | 3.1.0.0 | 4-(2-hydroxyethylamino)-4-oxidanylidene-butanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=C(CCC(=O)O)NCCO |
| InChI | InChI | 1.06 | InChI=1S/C6H11NO4/c8-4-3-7-5(9)1-2-6(10)11/h8H,1-4H2,(H,7,9)(H,10,11) |
| InChIKey | InChI | 1.06 | DRIXHLZKJCLQJN-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OCCNC(=O)CCC(O)=O |
| SMILES | CACTVS | 3.385 | OCCNC(=O)CCC(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | C(CC(=O)O)C(=O)NCCO |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | C(CC(=O)O)C(=O)NCCO |
