Molecule ID: 17277

IUPAC Name: ethyl (2S)-2-amino-3-(3,4-dihydroxyphenyl)-2-methylpropanoate

Description: The molecule is the ethyl ester of alpha-methyl-L-dopa. It has a role as an alpha-adrenergic agonist and an antihypertensive agent. It is a member of amphetamines and an ethyl ester. It derives from an alpha-methyl-L-dopa.

SMILES: CCOC(=O)[C@@](C)(N)Cc1ccc(O)c(O)c1

SELFIES: [C][C][O][C][=Branch1][C][=O][C@@][Branch1][C][C][Branch1][C][N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2]

InChI: InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m0/s1

Molecular Properties:
- Polar Surface Area: 92.8 Ų
- LogP: 1.0