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

C14H18FNO3 — CID 102660090

IUPAC2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(c1cccc(F)c1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H18FNO3/c1-10(11-4-3-5-12(15)6-11)16-8-14(2,9-16)19-7-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyYKDRPJJZGGZPNH-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.06
Rot. Bonds5

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

2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102660090) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102660090
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(c1cccc(F)c1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C14H18FNO3/c1-10(11-4-3-5-12(15)6-11)16-8-14(2,9-16)19-7-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18)
InChIKeyYKDRPJJZGGZPNH-UHFFFAOYSA-N
XLogP2.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659999
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659957
2-[1-[2-(3-fluorophenoxy)acetyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657109
1-[1-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060567
3-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]propanoic acid
CID 65053931
(3R)-1-[(1S)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677617
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
2-[1-[2-(4-fluorophenyl)sulfanylethyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102659227
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
1-[1-(3-fluorophenyl)ethyl]cyclopentan-1-ol
CID 144756929
2-[4-[1-(3-fluorophenyl)ethyl]piperazin-1-yl]ethanol
CID 110900456
1-[(1S)-1-(3-fluorophenyl)ethyl]piperazine
CID 51615755

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102660090) is 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is CC(c1cccc(F)c1)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is YKDRPJJZGGZPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-10(11-4-3-5-12(15)6-11)16-8-14(2,9-16)19-7-13(17)18/h3-6,10H,7-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(3-fluorophenyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102660090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).