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Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C=CC(=C1)CC(C(=O)O)N)O |
|---|---|
| IUPAC Name | (2S)-2-amino-3-(4-hydroxy-3-methylphenyl)propanoic acid |
| InChIKey | MQHLULPKDLJASZ-QMMMGPOBSA-N |
| INCHI | 1S/C10H13NO3/c1-6-4-7(2-3-9(6)12)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)/t8-/m0/s1 |
| Isomeric SMILES | CC1=C(C=CC(=C1)C[C@@H](C(=O)O)N)O |
| Alternate CAS | 2370-57-2 |
| PubChem CID | 159657 |
| MeSH Entry Terms | 3-methyltyrosine;methyl-3-tyrosine;methyl-3-tyrosine, (DL)-isomer;methyl-3-tyrosine, (L)-isomer;methyl-m-tyrosine |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic acids and derivatives |
| Class | Carboxylic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Intermediate Tree Nodes | Amino acids and derivatives - Alpha amino acids and derivatives |
| Direct Parent | Tyrosine and derivatives |
| Alternative Parents | Phenylalanine and derivatives Phenylpropanoic acids Amphetamines and derivatives L-alpha-amino acids Ortho cresols Toluenes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tyrosine or derivatives - Phenylalanine or derivatives - 3-phenylpropanoic-acid - Alpha-amino acid - Amphetamine or derivatives - L-alpha-amino acid - O-cresol - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - Amino acid - Carboxylic acid - Monocarboxylic acid or derivatives - Organic nitrogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tyrosine and derivatives. These are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. |
| External Descriptors | non-proteinogenic L-alpha-amino acid - L-tyrosine derivative |
| Molecular Weight | 195.210 g/mol |
|---|---|
| XLogP3 | -1.400 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 195.09 Da |
| Monoisotopic Mass | 195.09 Da |
| Topological Polar Surface Area | 83.600 Ų |
| Heavy Atom Count | 14 |
| Formal Charge | 0 |
| Complexity | 208.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |