ZZ8

2-(ACETYLAMINO)BENZOIC ACID

Created:	2009-05-22
Last modified:	2021-03-01

Find Related PDB Entry
2 entries where ZZ8 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	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

2D diagram of ZZ8

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	2-(ACETYLAMINO)BENZOIC ACID
Synonyms	N-ACETYLANTHRANILATE
Systematic Name (OpenEye OEToolkits)	2-acetamidobenzoic acid
Formula	C₉ H₉ N O₃
Molecular Weight	179.173
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccccc1C(=O)O)C
SMILES	CACTVS	3.352	CC(=O)Nc1ccccc1C(O)=O
SMILES	OpenEye OEToolkits	1.6.1	CC(=O)Nc1ccccc1C(=O)O
Canonical SMILES	CACTVS	3.352	CC(=O)Nc1ccccc1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC(=O)Nc1ccccc1C(=O)O
InChI	InChI	1.03	InChI=1S/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)
InChIKey	InChI	1.03	QSACCXVHEVWNMX-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	6971
ChEBI	CHEBI:36555
CCDC/CSD	AYUQAN, ACANAC10, ACANAC11, ACANAC14, ACANAC12, ACANAC13, ACANAC01
COD	2008834

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.