CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 158.73 Ų [M+H]+ [CCS Type: DT, Method: stepped-field] |
|---|
COMPUTED DESCRIPTORS
| Molecular Weight | 211.21 g/mol |
|---|---|
| XLogP3 | -2.4 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 211.08445790 g/mol |
| Monoisotopic Mass | 211.08445790 g/mol |
| Topological Polar Surface Area | 92.8 Ų |
| Heavy Atom Count | 15 |
| Formal Charge | 0 |
| Complexity | 222 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-O-methyldopa is a L-tyrosine derivative that is the 3-methoxy derivative of L-dopa. It has a role as a human metabolite. It is a L-tyrosine derivative, a monomethoxybenzene and a non-proteinogenic L-alpha-amino acid. It is functionally related to a L-dopa. It is a tautomer of a 3-O-methyldopa zwitterion.