A1AJ7

(2S)-2-(2-cyanophenoxy)propanamide

Created:	2024-04-03
Last modified:	2024-05-08

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1 entries where A1AJ7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	1
Bond Count	24
Aromatic Bond Count	6

2D diagram of A1AJ7

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Chemical Component Summary
Name	(2S)-2-(2-cyanophenoxy)propanamide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-(2-cyanophenoxy)propanamide
Formula	C₁₀ H₁₀ N₂ O₂
Molecular Weight	190.199
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(Oc1ccccc1C#N)C(N)=O
SMILES	CACTVS	3.385	C[CH](Oc1ccccc1C#N)C(N)=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C(=O)N)Oc1ccccc1C#N
Canonical SMILES	CACTVS	3.385	C[C@H](Oc1ccccc1C#N)C(N)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C[C@@H](C(=O)N)Oc1ccccc1C#N
InChI	InChI	1.06	InChI=1S/C10H10N2O2/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h2-5,7H,1H3,(H2,12,13)/t7-/m0/s1
InChIKey	InChI	1.06	DQKFGAITHBWHRW-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	28825468

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.