2-[[2-(4-fluorophenoxy)acetyl]amino]acetate

C10H9FNO4- — CID 7100216

IUPAC2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
SMILESO=C([O-])CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C10H10FNO4/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)/p-1
InChIKeyBWGYTDWQFKBZBX-UHFFFAOYSA-M
MW226.18 g/mol
LogP-0.93
Rot. Bonds5

About 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate

2-[[2-(4-fluorophenoxy)acetyl]amino]acetate (PubChem CID 7100216) has the molecular formula C10H9FNO4- and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Name2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
PubChem CID7100216
Molecular FormulaC10H9FNO4-
Molecular Weight226.18 g/mol
Exact Mass226.05
IUPAC Name2-[[2-(4-fluorophenoxy)acetyl]amino]acetate
SMILESO=C([O-])CNC(=O)COc1ccc(F)cc1
InChIInChI=1S/C10H10FNO4/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)/p-1
InChIKeyBWGYTDWQFKBZBX-UHFFFAOYSA-M
XLogP-0.93
TPSA78.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromoprop-2-enyl)-2-(4-fluorophenoxy)acetamide
CID 115594704
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-hydroxy-N-methylacetamide
CID 166263356
2-[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]acetate
CID 9157092
2-(4-fluorophenoxy)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429392
4-[2-(4-fluoroanilino)-2-oxoethoxy]benzoate
CID 2219088
4-[[2-(4-fluorophenoxy)acetyl]amino]benzoate
CID 7372868
N-cyano-2-(4-fluorophenoxy)acetamide
CID 79194261
disodium;2-[[2-[4-[(1E,3Z,6E)-7-[4-[2-(carboxylatomethylamino)-2-oxoethoxy]phenyl]-3-hydroxy-5-oxohepta-1,3,6-trienyl]phenoxy]acetyl]amino]acetate
CID 155530081
N-[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7779544
2-(4-fluorophenoxy)-N-[(4-hydroxycyclohexyl)methyl]acetamide
CID 106122071
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 133123523
N-(1,3-dihydroxypropan-2-yl)-2-(4-fluorophenoxy)acetamide
CID 65315333

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate?
The IUPAC name of 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate (CID 7100216) is 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate.
What is the SMILES notation for 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate?
The canonical SMILES for 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate is O=C([O-])CNC(=O)COc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate?
The InChIKey is BWGYTDWQFKBZBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10FNO4/c11-7-1-3-8(4-2-7)16-6-9(13)12-5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)/p-1.
What are the key properties of 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate?
2-[[2-(4-fluorophenoxy)acetyl]amino]acetate has a molecular weight of 226.18 g/mol, XLogP of -0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenoxy)acetyl]amino]acetate is sourced from PubChem (CID 7100216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).