3-(3-Carboxyphenyl)alanine
Basic information
- CAS
2196-56-7- Standard SMILES
NC(Cc1cccc(C(=O)O)c1)C(=O)O- InChIKey
JANONUPBHGWOBP-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.06880783
Overview
structure
Names & identifiers
- Preferred name
- 3-(3-Carboxyphenyl)alanine
- IUPAC
- 3-(2-amino-2-carboxyethyl)benzoic acid
- English name
- 3-Carboxy-DL-phenylalanine
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
3-(3-carboxyphenyl)alanineRefChem:9109563-(2-Amino-2-carboxyethyl)benzoic acid2196-56-73-Carboxy-L-phenylalanine3-carboxy-DL-phenylalanine3-(2-Amino-2-carboxyethyl)benzoicacidNSC1011343-carboxyphenylalanine3-(3-carboxyphenyl) alanineSCHEMBL1061212DTXSID20295315
Show more names
Phenylalanine, 3-carboxy-
JANONUPBHGWOBP-UHFFFAOYSA-NNSC-101134DB-330599propanoic acid, 2-amino-3-(3-carboxyphenyl)-
Database identifiers
- CAS
2196-56-7- PubChem CID
- 265274
- DTXSID
DTXSID20295315- Nikkaji
- J2.376.677I
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Melting point
- 176 · 176-177 °C (decomp)
- Boiling point
- 445.7 · 445.7±40.0 °C(Predicted)
- Density
- 1.394 · 1.394±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.10(Predicted)
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Related reactions
1 records
Compound notes
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