9F8

3-(3-methylindol-1-yl)propanoic acid

Created:	2017-05-16
Last modified:	2017-06-28

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1 entries where 9F8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	0
Bond Count	29
Aromatic Bond Count	10

2D diagram of 9F8

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Chemical Component Summary
Name	3-(3-methylindol-1-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(3-methylindol-1-yl)propanoic acid
Formula	C₁₂ H₁₃ N O₂
Molecular Weight	203.237
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cn(CCC(O)=O)c2ccccc12
SMILES	OpenEye OEToolkits	2.0.6	Cc1cn(c2c1cccc2)CCC(=O)O
Canonical SMILES	CACTVS	3.385	Cc1cn(CCC(O)=O)c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cn(c2c1cccc2)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C12H13NO2/c1-9-8-13(7-6-12(14)15)11-5-3-2-4-10(9)11/h2-5,8H,6-7H2,1H3,(H,14,15)
InChIKey	InChI	1.03	YJMBLVFDTDJZFE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	713878

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.