2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid

C14H16FNO5 — CID 102657109

IUPAC2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C14H16FNO5/c1-14(21-7-13(18)19)8-16(9-14)12(17)6-20-11-4-2-3-10(15)5-11/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyBOXDAJFKKNDTPL-UHFFFAOYSA-N
MW297.28 g/mol
LogP0.91
Rot. Bonds6

About 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102657109) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102657109
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(C(=O)COc2cccc(F)c2)C1
InChIInChI=1S/C14H16FNO5/c1-14(21-7-13(18)19)8-16(9-14)12(17)6-20-11-4-2-3-10(15)5-11/h2-5H,6-9H2,1H3,(H,18,19)
InChIKeyBOXDAJFKKNDTPL-UHFFFAOYSA-N
XLogP0.91
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
1-[3-[(3-fluorophenoxy)methyl]-3-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 132770532
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896
1-(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 156605496
1-[(4S)-4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-2-(3-fluorophenoxy)ethanone
CID 95723952
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
1-[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-2-(3-fluorophenoxy)ethanone
CID 135092043
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
2-[1-[2-(4-hydroxyphenyl)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657616
2-(3-fluorophenoxy)-1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 110156703

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102657109) is 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(C(=O)COc2cccc(F)c2)C1.
What is the InChIKey of 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is BOXDAJFKKNDTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO5/c1-14(21-7-13(18)19)8-16(9-14)12(17)6-20-11-4-2-3-10(15)5-11/h2-5H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 297.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102657109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).