2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid

C13H17FN2O3 — CID 102659957

IUPAC2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(c1ccc(F)cn1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H17FN2O3/c1-9(11-4-3-10(14)5-15-11)16-7-13(2,8-16)19-6-12(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyWISQSYZGLLNTCB-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.46
Rot. Bonds5

About 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid

2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (PubChem CID 102659957) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
PubChem CID102659957
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Name2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid
SMILESCC(c1ccc(F)cn1)N1CC(C)(OCC(=O)O)C1
InChIInChI=1S/C13H17FN2O3/c1-9(11-4-3-10(14)5-15-11)16-7-13(2,8-16)19-6-12(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18)
InChIKeyWISQSYZGLLNTCB-UHFFFAOYSA-N
XLogP1.46
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 83129243
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984629
2-[1-[(5-fluoro-3-pyridinyl)sulfonyl]-3-methylazetidin-3-yl]oxyacetic acid
CID 102657845
(2S)-2-(5-fluoro-2-pyridinyl)-2-methoxyacetic acid
CID 167014812
3-amino-1-[1-(5-fluoro-2-pyridinyl)propyl]pyrrolidine-3-carboxylic acid
CID 107321041
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
4-ethyl-1-[1-(5-fluoro-2-pyridinyl)propyl]piperidine-4-carboxylic acid
CID 115941705
2-(3-methyl-1-pyridin-4-ylazetidin-3-yl)oxyacetic acid
CID 102658118
1-[1-(5-fluoro-2-pyridinyl)propyl]-3-propylpyrrolidine-3-carboxylic acid
CID 115941701
2-[1-(2-hydroxypropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659347
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]ethanamine
CID 83124823
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid (CID 102659957) is 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is CC(c1ccc(F)cn1)N1CC(C)(OCC(=O)O)C1.
What is the InChIKey of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
The InChIKey is WISQSYZGLLNTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-9(11-4-3-10(14)5-15-11)16-7-13(2,8-16)19-6-12(17)18/h3-5,9H,6-8H2,1-2H3,(H,17,18).
What are the key properties of 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid?
2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid has a molecular weight of 268.29 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-fluoro-2-pyridinyl)ethyl]-3-methylazetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).