HJ1
Summary
| Name: | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
| Synonyms: | beta-alanyl-dopamine |
| Formula: | C11 H16 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 224.256 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | N-[2-(3,4-dihydroxyphenyl)ethyl]-beta-alaninamide |
| OpenEye OEToolkits | 2.0.6 | 3-azanyl-~{N}-[2-[3,4-bis(oxidanyl)phenyl]ethyl]propanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N)CC(NCCc1cc(c(cc1)O)O)=O |
| InChI | InChI | 1.03 | InChI=1S/C11H16N2O3/c12-5-3-11(16)13-6-4-8-1-2-9(14)10(15)7-8/h1-2,7,14-15H,3-6,12H2,(H,13,16) |
| InChIKey | InChI | 1.03 | KGZWXTYWZFMLSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCCC(=O)NCCc1ccc(O)c(O)c1 |
| SMILES | CACTVS | 3.385 | NCCC(=O)NCCc1ccc(O)c(O)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCNC(=O)CCN)O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1CCNC(=O)CCN)O)O |
