Basic information
- CAS
171031-50-8- Standard SMILES
C[C@](N)(Cc1cccc(C(=O)O)c1)C(=O)O- InChIKey
AORMNQRMXYXXJK-NSHDSACASA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Overview
a preferential antagonist of group III metabotropic glutamate receptors; RN given refers to L-isomer
Names & identifiers
- Preferred name
- alpha-Methyl-3-carboxyphenylalanine
- IUPAC
- 3-[(2S)-2-amino-2-carboxypropyl]benzoic acid
- English name
- alpha-methyl-3-carboxyphenylalanine
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
alpha-Methyl-3-carboxyphenylalaninealpha-M3CPA171031-50-8RefChem:1113103-Carboxy-alpha-methyl-L-phenylalanine3-[(2S)-2-amino-2-carboxypropyl]benzoic acidCHEMBL421322SCHEMBL2147105DTXSID309379163-carboxy-alpha-methylphenylalanine(s)-alpha-methyl-3-carboxyphenylalanineL-Phenylalanine, 3-carboxy-alpha-methyl-
Show more names
L-Phenylalanine, 3-carboxy-α-methyl-
Database identifiers
- CAS
171031-50-8- PubChem CID
- 128015
- DTXSID
DTXSID30937916- ChEMBL
CHEMBL421322- Nikkaji
- J741.369F
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Boiling point
- 441.7 · 441.7±40.0 °C(Predicted)
- Density
- 1.343 · 1.343±0.06 g/cm3(Predicted)
- pka
- 2.2 · 2.20±0.16(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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