Basic information
- CAS
67036-50-4- Standard SMILES
NCCC(C(=O)O)C(=O)c1cccnc1- InChIKey
NHNHLPJQBDXKSO-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- Nicotinoyl-gamma-aminobutyric acid
- IUPAC
- 4-amino-2-(pyridine-3-carbonyl)butanoic acid
Names & synonyms
6RAV54C2AZ67036-50-4alpha-(2-Aminoethyl)-beta-oxo-3-pyridinepropanoic acid3-Pyridinepropanoic acid, alpha-(2-aminoethyl)-beta-oxo-nicotinoyl-gamma-aminobutyric acidUNII-6RAV54C2AZSCHEMBL6900351
Database identifiers
- CAS
67036-50-4- PubChem CID
- 20163810
- UNII
- 6RAV54C2AZ
Properties
Computed structural properties
- XLogP
- -2.6
- Topological polar surface area
- 93.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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