4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid

C14H19NO3 — CID 117376219

IUPAC4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CC(Oc2cccc(CCCC(=O)O)c2)C1
InChIInChI=1S/C14H19NO3/c1-15-9-13(10-15)18-12-6-2-4-11(8-12)5-3-7-14(16)17/h2,4,6,8,13H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyMEVJHGDKFNZQGW-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.79
Rot. Bonds6

About 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid

4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid (PubChem CID 117376219) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid.

Molecular Properties

Compound Name4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
PubChem CID117376219
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid
SMILESCN1CC(Oc2cccc(CCCC(=O)O)c2)C1
InChIInChI=1S/C14H19NO3/c1-15-9-13(10-15)18-12-6-2-4-11(8-12)5-3-7-14(16)17/h2,4,6,8,13H,3,5,7,9-10H2,1H3,(H,16,17)
InChIKeyMEVJHGDKFNZQGW-UHFFFAOYSA-N
XLogP1.79
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117415298
4-[4-(1-methylpiperidin-3-yl)oxyphenyl]butanoic acid
CID 117444593
4-[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]butanoic acid
CID 117473451
3-[4-methoxy-3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117417024
3-cyclopropyl-3-[3-(1-methylazetidin-3-yl)oxyphenyl]propanoic acid
CID 117440490
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
1-(3-cyclopropyloxyphenyl)-4-phenylbutan-1-one
CID 105134475
2-methyl-3-[3-(1-methylpiperidin-4-yl)oxyphenyl]propanoic acid
CID 117444550
2-[3-(3-cyclopentyloxyphenyl)propanoyl-ethylamino]acetic acid
CID 119206123
3-(3-fluorophenoxy)-1-methylazetidine
CID 118403576
4-(3-aminophenyl)butanoic acid;hydrochloride
CID 11715486
3,3-dimethyl-1-[3-(1-methylpyrrolidin-3-yl)oxyphenyl]butan-2-one;hydrochloride
CID 159432081

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The IUPAC name of 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid (CID 117376219) is 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid.
What is the SMILES notation for 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The canonical SMILES for 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid is CN1CC(Oc2cccc(CCCC(=O)O)c2)C1.
What is the InChIKey of 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
The InChIKey is MEVJHGDKFNZQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-13(10-15)18-12-6-2-4-11(8-12)5-3-7-14(16)17/h2,4,6,8,13H,3,5,7,9-10H2,1H3,(H,16,17).
What are the key properties of 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid?
4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methylazetidin-3-yl)oxyphenyl]butanoic acid is sourced from PubChem (CID 117376219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).