Basic information
- CAS
134235-83-9- Standard SMILES
CC(c1ccccc1)[C@@H](N)C(=O)O- InChIKey
IRZQDMYEJPNDEN-NHSZFOGYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
Names & identifiers
- Preferred name
- (S)-2-Amino-3-phenyl-butyric acid
- IUPAC
- (2R)-2-amino-3-phenylbutanoic acid
- English name
- D-Phenylalanine, -ba--methyl- (9CI)
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
SCHEMBL383451(S)-2-Amino-3-phenyl-butyric acidD-Phenylalanine, -bD-Phenylalanine, β-methyl-(R)-2-Amino-3-phenylbutanoic acidD-Phenylalanine,-bta--methyl-(9CI)D-Phenylalanine, -ba--methyl- (9CI)
Database identifiers
- CAS
134235-83-9- Nikkaji
- J293.328D
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 306 · 306.0±30.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 2.24 · 2.24±0.10(Predicted)
Chemistry & industry
Suppliers1 total
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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