ECD
Summary
| Name: | (4R)-4-(2-carboxyethyl)imidazolidin-2-iminium |
| Formula: | C6 H12 N3 O2 |
| Formal charge: | 1 |
| Formula weight: | 158.178 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (4R)-4-(2-carboxyethyl)imidazolidin-2-iminium |
| OpenEye OEToolkits | 1.7.6 | [(4R)-4-(3-hydroxy-3-oxopropyl)imidazolidin-2-ylidene]azanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)CCC1NC(/NC1)=[NH2+] |
| InChI | InChI | 1.03 | InChI=1S/C6H11N3O2/c7-6-8-3-4(9-6)1-2-5(10)11/h4H,1-3H2,(H,10,11)(H3,7,8,9)/p+1/t4-/m1/s1 |
| InChIKey | InChI | 1.03 | XWJJYUBXTJRSEQ-SCSAIBSYSA-O |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)CC[C@@H]1CNC(=[NH2+])N1 |
| SMILES | CACTVS | 3.370 | OC(=O)CC[CH]1CNC(=[NH2+])N1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C1[C@H](NC(=[NH2+])N1)CCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | C1C(NC(=[NH2+])N1)CCC(=O)O |
