O2U
Summary
| Name: | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid |
| Formula: | C6 H7 N O5 |
| Formal charge: | 0 |
| Formula weight: | 173.123 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]acetic acid |
| OpenEye OEToolkits | 2.0.7 | 2-[(3~{S})-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C1C(CC(=O)O)CC(=O)N1O |
| InChI | InChI | 1.03 | InChI=1S/C6H7NO5/c8-4-1-3(2-5(9)10)6(11)7(4)12/h3,12H,1-2H2,(H,9,10)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | SQPSXVPPAZXZCA-VKHMYHEASA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | ON1C(=O)C[C@@H](CC(O)=O)C1=O |
| SMILES | CACTVS | 3.385 | ON1C(=O)C[CH](CC(O)=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1[C@H](C(=O)N(C1=O)O)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | C1C(C(=O)N(C1=O)O)CC(=O)O |
