HJD
Summary
| Name: | N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide |
| Formula: | C8 H14 N4 O |
| Formal charge: | 0 |
| Formula weight: | 182.223 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-~{N}-[2-(1~{H}-imidazol-5-yl)ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n1c(CCNC(CCN)=O)cnc1 |
| InChI | InChI | 1.03 | InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13) |
| InChIKey | InChI | 1.03 | ANRUJJLGVODXIK-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC(=O)NCCc1[nH]cnc1 |
| SMILES | CACTVS | 3.385 | NCCC(=O)NCCc1[nH]cnc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c([nH]cn1)CCNC(=O)CCN |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1c([nH]cn1)CCNC(=O)CCN |
