Basic information
- CAS
52247-77-5- Standard SMILES
CC[C@@](N)(C(=O)O)c1ccccc1- InChIKey
UBXUDSPYIGPGGP-JTQLQIEISA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- (2S)-2-amino-2-phenylbutanoic acid
- IUPAC
- (2S)-2-amino-2-phenylbutanoic acid
- English name
- (S)-(+)-2-Amino-2-phenylbutyric acid
- Molecular formula
- C10H13NO2
- Molecular weight
- 179.22
Names & synonyms
52247-77-5(2S)-2-amino-2-phenylbutanoic acid(S)-(+)-2-Amino-2-phenylbutyric acid(S)-2-Amino-2-phenylbutanoic acidSCHEMBL2089245DTXSID40352015(S)-2-Amino-2-phenylbutanoicacidAKOS006272720(S)-(-)-α-ethyl-phenylglycine(2S)-2-Amino-2-phenylbutyric acidBenzeneacetic acid, α-amino-α-ethyl-, (αS)-
Database identifiers
- CAS
52247-77-5- PubChem CID
- 716482
- DTXSID
DTXSID40352015- Nikkaji
- J57.561E
Properties
Computed structural properties
- XLogP
- -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
- 187
Physicochemical properties
- Melting point
- 250 · 250-255 °C (decomp)
- Boiling point
- 312.074 · 312.074±30.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.985 · 1.985±0.10(predicted)
Chemistry & industry
Suppliers4 total
北京依凯诺医药技术开发有限公司18518619637 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
北京蓝博特科技有限公司010-56330744 18310155299 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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