2-Amino-4-(3-carboxypyridin-1-ium-1-yl)butanoate
Basic information
- CAS
19701-79-2- Standard SMILES
NC(CC[n+]1cccc(C(=O)O)c1)C(=O)[O-]- InChIKey
ZPRKDLMMZXBFPH-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Overview
2-Amino-4-(3-carboxypyridin-1-ium-1-yl)butanoate has been reported in Nicotiana tabacum and Lentinula edodes with data available.
Names & identifiers
- Preferred name
- 2-Amino-4-(3-carboxypyridin-1-ium-1-yl)butanoate
- IUPAC
- 2-amino-4-(3-carboxypyridin-1-ium-1-yl)butanoate
Database identifiers
- CAS
19701-79-2- PubChem CID
- 163192845
Properties
Computed structural properties
- XLogP
- -2.1
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 264
Experimental & physicochemical properties
Melting Point241 - 243 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…