2UC
Summary
| Name: | 1-[3-(2-oxoethyl)benzyl]guanidine |
| Formula: | C10 H13 N3 O2 |
| Formal charge: | 0 |
| Formula weight: | 207.229 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-[3-(2-oxoethyl)benzyl]guanidine |
| OpenEye OEToolkits | 2.0.7 | 2-[3-(carbamimidamidomethyl)phenyl]ethanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=CCc1cccc(c1)CNC(=[N@H])N |
| InChI | InChI | 1.06 | InChI=1S/C10H13N3O2/c11-10(12)13-6-8-3-1-2-7(4-8)5-9(14)15/h1-4H,5-6H2,(H,14,15)(H4,11,12,13) |
| InChIKey | InChI | 1.06 | XHTIUEPLCYCGAY-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)NCc1cccc(CC(O)=O)c1 |
| SMILES | CACTVS | 3.385 | NC(=N)NCc1cccc(CC(O)=O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [H]/N=C(\N)/NCc1cccc(c1)CC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)CNC(=N)N)CC(=O)O |
