CRN
Summary
| Name: | N-[(E)-AMINO(IMINO)METHYL]-N-METHYLGLYCINE |
| Synonyms: | CREATINE |
| Formula: | C4 H9 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 131.133 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | N-carbamimidoyl-N-methylglycine |
| OpenEye OEToolkits | 1.5.0 | 2-(carbamimidoyl-methyl-amino)ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CN(C(=[N@H])N)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(CC(O)=O)C(N)=N |
| SMILES | CACTVS | 3.341 | CN(CC(O)=O)C(N)=N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(CC(=O)O)C(=N)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(CC(=O)O)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9) |
| InChIKey | InChI | 1.03 | CVSVTCORWBXHQV-UHFFFAOYSA-N |
