R9M

3-(1,3-thiazol-2-yl)propanoic acid

Created:	2020-02-10
Last modified:	2020-06-03

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2 entries where R9M is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	17
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	5

2D diagram of R9M

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Chemical Component Summary
Name	3-(1,3-thiazol-2-yl)propanoic acid
Systematic Name (OpenEye OEToolkits)	3-(1,3-thiazol-2-yl)propanoic acid
Formula	C₆ H₇ N O₂ S
Molecular Weight	157.19
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(O)=O)Cc1nccs1
SMILES	CACTVS	3.385	OC(=O)CCc1sccn1
SMILES	OpenEye OEToolkits	2.0.6	c1csc(n1)CCC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)CCc1sccn1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1csc(n1)CCC(=O)O
InChI	InChI	1.03	InChI=1S/C6H7NO2S/c8-6(9)2-1-5-7-3-4-10-5/h3-4H,1-2H2,(H,8,9)
InChIKey	InChI	1.03	OJTQVDTVCPIZQH-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2760609

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.