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 |