Basic information
- CAS
3641-44-9- Standard SMILES
COc1ccc(CC(N)C(=O)O)cc1C(=O)O.Cl- InChIKey
CBQVPJZHMOIXNF-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO5
- Average molar mass
- 275.68 g/mol
- Monoisotopic mass
- 275.0560502
Names & identifiers
- Preferred name
- Hydrocinnamic acid, alpha-amino-3-carboxy-4-methoxy-, hydrochloride, DL-
- IUPAC
- 5-(2-amino-2-carboxyethyl)-2-methoxybenzoic acid;hydrochloride
Names & synonyms
3641-44-9HYDROCINNAMIC ACID, alpha-AMINO-3-CARBOXY-4-METHOXY-, HYDROCHLORIDE, DL-RefChem:1087001DL-alpha-Amino-3-carboxy-4-methoxy-hydrocinnamic acid hydrochlorideDL-3-Carboxy-4-methoxyphenylalanine hydrochlorideAlanine, 3-carboxy-4-methoxyphenyl-, hydrochloride, DL-DTXSID509577573-Carboxy-O-methyltyrosine--hydrogen chloride (1/1)
Database identifiers
- CAS
3641-44-9- PubChem CID
- 19271
- DTXSID
DTXSID50957757
Properties
Computed structural properties
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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