2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid

C16H21NO4 — CID 116683751

IUPAC2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
SMILESCC(=O)c1ccccc1OCCN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11(16(19)20)13-9-17(10-13)7-8-21-15-6-4-3-5-14(15)12(2)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyUCHQJDJSNFGQPV-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.92
Rot. Bonds7

About 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid

2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid (PubChem CID 116683751) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
PubChem CID116683751
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
SMILESCC(=O)c1ccccc1OCCN1CC(C(C)C(=O)O)C1
InChIInChI=1S/C16H21NO4/c1-11(16(19)20)13-9-17(10-13)7-8-21-15-6-4-3-5-14(15)12(2)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20)
InChIKeyUCHQJDJSNFGQPV-UHFFFAOYSA-N
XLogP1.92
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
(3S,4S)-1-[2-(2-acetylphenoxy)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954142
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
2-[1-[2-(3-methylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116684269
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
2-[1-[2-(2-bromo-4-chlorophenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683883
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid?
The IUPAC name of 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid (CID 116683751) is 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid is CC(=O)c1ccccc1OCCN1CC(C(C)C(=O)O)C1.
What is the InChIKey of 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid?
The InChIKey is UCHQJDJSNFGQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(16(19)20)13-9-17(10-13)7-8-21-15-6-4-3-5-14(15)12(2)18/h3-6,11,13H,7-10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid?
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 116683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).