3-[6-Oxo-1-(propan-2-yl)-1,6-dihydropyridin-3-yl]alanine
Basic information
- CAS
1263093-87-3- Standard SMILES
CC(C)n1cc(CC(N)C(=O)O)ccc1=O- InChIKey
NMGDLBBSRQTWKS-UHFFFAOYSA-N- Molecular formula
- C11H16N2O3
- Average molar mass
- 224.26 g/mol
- Monoisotopic mass
- 224.11609238
Names & identifiers
- Preferred name
- 3-[6-Oxo-1-(propan-2-yl)-1,6-dihydropyridin-3-yl]alanine
- IUPAC
- 2-amino-3-(6-oxo-1-propan-2-yl-3-pyridinyl)propanoic acid
Names & synonyms
DTXSID6011589411263093-87-33-[6-Oxo-1-(propan-2-yl)-1,6-dihydropyridin-3-yl]alanine2-amino-3-(1-isopropyl-6-oxo-1,6-dihydro-pyridin-3-yl)-propionicacidI+/--Amino-1,6-dihydro-1-(1-methylethyl)-6-oxo-3-pyridinepropanoic acid
Database identifiers
- CAS
1263093-87-3- PubChem CID
- 44890876
- DTXSID
DTXSID601158941
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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