DI6
Summary
| Name: | 3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID |
| Formula: | C6 H8 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 172.139 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid |
| OpenEye OEToolkits | 1.5.0 | 3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C1NC(C(=O)N1)CCC(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)CC[C@@H]1NC(=O)NC1=O |
| SMILES | CACTVS | 3.341 | OC(=O)CC[CH]1NC(=O)NC1=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)[C@H]1C(=O)NC(=O)N1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | C(CC(=O)O)C1C(=O)NC(=O)N1 |
| InChI | InChI | 1.03 | InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1 |
| InChIKey | InChI | 1.03 | VWFWNXQAMGDPGG-VKHMYHEASA-N |
