2-Pyridin-2-ylalanine
Basic information
- CAS
500755-90-8- Standard SMILES
CC(N)(C(=O)O)c1ccccn1- InChIKey
YJKWJVAAWIUIFA-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2
- Average molar mass
- 166.18 g/mol
- Monoisotopic mass
- 166.07422757
Names & identifiers
- Preferred name
- 2-Pyridin-2-ylalanine
- IUPAC
- 2-amino-2-pyridin-2-ylpropanoic acid
- English name
- 2-Pyridineaceticacid,alpha-amino-alpha-methyl-(9CI)
- Molecular formula
- C8H10N2O2
- Molecular weight
- 166.18
Names & synonyms
500755-90-82-Pyridin-2-ylalanineSCHEMBL2086831DTXSID101284660AKOS000172658AKOS022474899I+/--Amino-I+/--methyl-2-pyridineacetic acid2-Pyridineacetic acid, α-amino-α-methyl-2-Pyridineaceticacid,alpha-amino-alpha-methyl-(9CI)
Database identifiers
- CAS
500755-90-8- PubChem CID
- 4241373
- DTXSID
DTXSID101284660- Nikkaji
- J1.948.695H
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 184
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Compound notes
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