X5A

N-(4-aminobutyl)acetamide

Created:	2020-11-30
Last modified:	2021-02-03

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1 entries where X5A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	23
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	0

2D diagram of X5A

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Chemical Component Summary
Name	N-(4-aminobutyl)acetamide
Synonyms	N-Acetylputrescine
Systematic Name (OpenEye OEToolkits)	~{N}-(4-azanylbutyl)ethanamide
Formula	C₆ H₁₄ N₂ O
Molecular Weight	130.188
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(NCCCCN)=O
SMILES	CACTVS	3.385	CC(=O)NCCCCN
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCCCCN
Canonical SMILES	CACTVS	3.385	CC(=O)NCCCCN
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NCCCCN
InChI	InChI	1.03	InChI=1S/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
InChIKey	InChI	1.03	KLZGKIDSEJWEDW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	122356
ChEMBL	CHEMBL81241
ChEBI	CHEBI:17768

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.