Showing Metabocard for 3-O-methyl-L-dopa (BASm0008431)
| Common Name | 3-o-methyl-l-dopa |
|---|---|
| Description | true |
| Structure | |
| Molecular Formula | C10H13NO4 |
| Average Mass | 211.21450 |
| Monoisotopic Mass | 211.08446 |
| IUPAC Name | (2S)-2-amino-3-(4-hydroxy-3-methoxyphenyl)propanoic acid |
| Traditional Name | 3-methoxytyrosine |
| CAS Registry Number | Not Available |
| SMILES | COc1cc(C[C@H]([NH3+])C(=O)[O-])ccc1O |
| InChI Identifier | InChI=1S/C10H13NO4/c1-15-9-5-6(2-3-8(9)12)4-7(11)10(13)14/h2-3,5,7,12H,4,11H2,1H3,(H,13,14)/t7-/m0/s1 |
| InChI Key | PFDUUKDQEHURQC-ZETCQYMHSA-N |
| CHEBI ID | CHEBI:133668 |
| HMDB ID | HMDB0060747 |
| State | Not Available |
| Water Solubility | 2.96e+00 g/l |
| logP | -2.09 |
| logS | -1.85 |
| pKa (Strongest Acidic) | 1.75 |
| pKa (Strongest Basic) | 9.33 |
| Hydrogen Acceptor Count | 5 |
| Hydrogen Donor Count | 3 |
| Polar Surface Area | 92.78 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 53.56 m³·mol⁻¹ |
| Polarizability | 20.97 |