SQ
Summary
| Name: | 3-ETHYLAMINO-4-METHYLAMINO-CYCLOBUTANE-1,2-DIONE |
| Synonyms: | SQUARIC ACID |
| Formula: | C7 H12 N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 156.182 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (3R,4S)-3-(ethylamino)-4-(methylamino)cyclobutane-1,2-dione |
| OpenEye OEToolkits | 1.5.0 | 3-ethylamino-4-methylamino-cyclobutane-1,2-dione |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1C(=O)C(NCC)C1NC |
| SMILES_CANONICAL | CACTVS | 3.341 | CCN[C@@H]1[C@H](NC)C(=O)C1=O |
| SMILES | CACTVS | 3.341 | CCN[CH]1[CH](NC)C(=O)C1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCNC1C(C(=O)C1=O)NC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCNC1C(C(=O)C1=O)NC |
| InChI | InChI | 1.03 | InChI=1S/C7H12N2O2/c1-3-9-5-4(8-2)6(10)7(5)11/h4-5,8-9H,3H2,1-2H3 |
| InChIKey | InChI | 1.03 | FYAIPBIOBLLUAM-UHFFFAOYSA-N |
