81B

(cyclopentylamino)(oxo)acetic acid

Created:	2018-02-23
Last modified:	2019-01-30

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1 entries where 81B is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of 81B

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Chemical Component Summary
Name	(cyclopentylamino)(oxo)acetic acid
Systematic Name (OpenEye OEToolkits)	2-(cyclopentylamino)-2-oxidanylidene-ethanoic acid
Formula	C₇ H₁₁ N O₃
Molecular Weight	157.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(O)(C(NC1CCCC1)=O)=O
SMILES	CACTVS	3.385	OC(=O)C(=O)NC1CCCC1
SMILES	OpenEye OEToolkits	2.0.6	C1CCC(C1)NC(=O)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C(=O)NC1CCCC1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CCC(C1)NC(=O)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H11NO3/c9-6(7(10)11)8-5-3-1-2-4-5/h5H,1-4H2,(H,8,9)(H,10,11)
InChIKey	InChI	1.03	XYYFQOQNHIZVBG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	19746230

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.