Basic information
- CAS
5428-44-4- Standard SMILES
O=C(O)C(CO)Nc1ccccc1- InChIKey
CXIYBDIJKQJUMN-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Overview
N-phenylserine is a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- Phenylserin
- IUPAC
- 2-anilino-3-hydroxypropanoic acid
Names & synonyms
phenylserinphenyl-dl-serineNSC12966SCHEMBL344918CHEBI:137012NSC-129665428-44-4
Database identifiers
- CAS
5428-44-4- PubChem CID
- 224482
- ChEBI
CHEBI:137012- Nikkaji
- J2.163.084E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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