A1AW3

(1s,5s)-N-hydroxybicyclo[3.3.1]nonane-1-carboxamide

Created:	2024-07-10
Last modified:	2025-03-26

Find Related PDB Entry
1 entries where A1AW3 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	30
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of A1AW3

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1s,5s)-N-hydroxybicyclo[3.3.1]nonane-1-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-oxidanylbicyclo[3.3.1]nonane-1-carboxamide
Formula	C₁₀ H₁₇ N O₂
Molecular Weight	183.247
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	ONC(=O)C12CCCC(CCC1)C2
SMILES	CACTVS	3.385	ONC(=O)C12CCCC(CCC1)C2
SMILES	OpenEye OEToolkits	2.0.7	C1CC2CCCC(C1)(C2)C(=O)NO
Canonical SMILES	CACTVS	3.385	ONC(=O)C12CCCC(CCC1)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1CC2CCCC(C1)(C2)C(=O)NO
InChI	InChI	1.06	InChI=1S/C10H17NO2/c12-9(11-13)10-5-1-3-8(7-10)4-2-6-10/h8,13H,1-7H2,(H,11,12)/t8-,10+
InChIKey	InChI	1.06	SYGQFNJAPFGWCF-WAAGHKOSSA-N

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.