2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid

C13H15NO4 — CID 107140663

IUPAC2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
SMILESCC(=O)c1ccc(OC2(CC(=O)O)CNC2)cc1
InChIInChI=1S/C13H15NO4/c1-9(15)10-2-4-11(5-3-10)18-13(6-12(16)17)7-14-8-13/h2-5,14H,6-8H2,1H3,(H,16,17)
InChIKeyIUSFHVYXYAWRQM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.08
Rot. Bonds5

About 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid

2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140663) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
PubChem CID107140663
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
SMILESCC(=O)c1ccc(OC2(CC(=O)O)CNC2)cc1
InChIInChI=1S/C13H15NO4/c1-9(15)10-2-4-11(5-3-10)18-13(6-12(16)17)7-14-8-13/h2-5,14H,6-8H2,1H3,(H,16,17)
InChIKeyIUSFHVYXYAWRQM-UHFFFAOYSA-N
XLogP1.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(4-propanoylphenoxy)azetidin-3-yl]acetic acid
CID 107140698
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720
2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
2-(3-propoxyazetidin-3-yl)acetic acid
CID 107140834
4-(4-acetylphenoxy)benzoic acid
CID 60723234
[(4-acetylphenoxy)-ethoxyphosphoryl]formic acid
CID 57190144
1-[4-[3-[(3S,5S)-3,5-dimethylpiperidin-3-yl]propoxy]phenyl]ethanone
CID 57227984
1-(4-sulfanyloxyphenyl)ethanone
CID 87171019
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
2-[1-[(4-acetylphenyl)sulfanylmethyl]cyclopropyl]acetic acid
CID 65441958

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid (CID 107140663) is 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid is CC(=O)c1ccc(OC2(CC(=O)O)CNC2)cc1.
What is the InChIKey of 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid?
The InChIKey is IUSFHVYXYAWRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-9(15)10-2-4-11(5-3-10)18-13(6-12(16)17)7-14-8-13/h2-5,14H,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid?
2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).