A1CFD

N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]glycinamide

Created:	2025-06-09
Last modified:	2025-11-05

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1 entries where A1CFD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	1
Bond Count	30
Aromatic Bond Count	6

2D diagram of A1CFD

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Chemical Component Summary
Name	N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]glycinamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-~{N}-[(4~{R})-3,4-dihydro-2~{H}-chromen-4-yl]ethanamide
Formula	C₁₁ H₁₄ N₂ O₂
Molecular Weight	206.241
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	NCC(=O)NC1CCOc2ccccc21
SMILES	CACTVS	3.385	NCC(=O)N[CH]1CCOc2ccccc12
SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)C(CCO2)NC(=O)CN
Canonical SMILES	CACTVS	3.385	NCC(=O)N[C@@H]1CCOc2ccccc12
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1ccc2c(c1)[C@@H](CCO2)NC(=O)CN
InChI	InChI	1.06	InChI=1S/C11H14N2O2/c12-7-11(14)13-9-5-6-15-10-4-2-1-3-8(9)10/h1-4,9H,5-7,12H2,(H,13,14)/t9-/m1/s1
InChIKey	InChI	1.06	RWJMQOAUQAINHS-SECBINFHSA-N

Related Resource References

Resource Name	Reference
PubChem	93027715

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.