2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid

C14H18FNO4 — CID 102659234

IUPAC2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO4/c1-14(20-8-13(17)18)9-16(10-14)6-7-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyOGGSUJVKYYKAEN-UHFFFAOYSA-N
MW283.30 g/mol
LogP1.38
Rot. Bonds7

About 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659234) has the molecular formula C14H18FNO4 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659234
Molecular FormulaC14H18FNO4
Molecular Weight283.30 g/mol
Exact Mass283.12
IUPAC Name2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCOc2ccc(F)cc2)C1
InChIInChI=1S/C14H18FNO4/c1-14(20-8-13(17)18)9-16(10-14)6-7-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18)
InChIKeyOGGSUJVKYYKAEN-UHFFFAOYSA-N
XLogP1.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R,4S)-1-[2-(4-fluorophenoxy)ethyl]-4-hydroxypyrrolidin-3-yl]acetic acid
CID 155503784
3-ethyl-1-[2-(4-fluorophenoxy)ethyl]pyrrolidine-3-carboxylic acid
CID 63148518
2-[1-[3-(4-fluorophenoxy)propyl]azetidin-3-yl]acetic acid
CID 64616475
2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657109
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957
3-[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]propanoic acid
CID 62217888
2-[1-(2-ethylsulfonylethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659654
2-[1-[(4-chlorophenyl)methyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659248
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-4-carboxylate
CID 60645154
2-ethyl-1-[4-[2-(4-fluorophenoxy)ethyl]piperazin-1-yl]butan-1-one
CID 110638341
1-[2-(4-fluorophenoxy)ethyl]-N-methylpiperidine-4-carboxamide
CID 134055069

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659234) is 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCOc2ccc(F)cc2)C1.
What is the InChIKey of 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is OGGSUJVKYYKAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO4/c1-14(20-8-13(17)18)9-16(10-14)6-7-19-12-4-2-11(15)3-5-12/h2-5H,6-10H2,1H3,(H,17,18).
What are the key properties of 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 283.30 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-fluorophenoxy)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).