HRL

5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid

Created:	2021-01-29
Last modified:	2022-02-02

Find Related PDB Entry
1 entries where HRL is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	12

2D diagram of HRL

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	5-((2-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	5-[(2-methoxyphenyl)methylamino]pyridine-2,4-dicarboxylic acid
Formula	C₁₅ H₁₄ N₂ O₅
Molecular Weight	302.282
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O
Canonical SMILES	CACTVS	3.385	COc1ccccc1CNc2cnc(cc2C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	COc1ccccc1CNc2cnc(cc2C(=O)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H14N2O5/c1-22-13-5-3-2-4-9(13)7-16-12-8-17-11(15(20)21)6-10(12)14(18)19/h2-6,8,16H,7H2,1H3,(H,18,19)(H,20,21)
InChIKey	InChI	1.03	RQJVIWJRWILRPU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	162423077

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.