2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid

C11H11NO4 — CID 121221707

IUPAC2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OC1CC(=O)N1
InChIInChI=1S/C11H11NO4/c13-9-6-10(12-9)16-8-4-2-1-3-7(8)5-11(14)15/h1-4,10H,5-6H2,(H,12,13)(H,14,15)
InChIKeyWSFSIXCXKBMFRK-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.54
Rot. Bonds4

About 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid

2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid (PubChem CID 121221707) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid
PubChem CID121221707
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccccc1OC1CC(=O)N1
InChIInChI=1S/C11H11NO4/c13-9-6-10(12-9)16-8-4-2-1-3-7(8)5-11(14)15/h1-4,10H,5-6H2,(H,12,13)(H,14,15)
InChIKeyWSFSIXCXKBMFRK-UHFFFAOYSA-N
XLogP0.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The IUPAC name of 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid (CID 121221707) is 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid is O=C(O)Cc1ccccc1OC1CC(=O)N1.
What is the InChIKey of 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
The InChIKey is WSFSIXCXKBMFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-9-6-10(12-9)16-8-4-2-1-3-7(8)5-11(14)15/h1-4,10H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid?
2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid has a molecular weight of 221.21 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-oxoazetidin-2-yl)oxyphenyl]acetic acid is sourced from PubChem (CID 121221707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).