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

C11H12INO3 — CID 107140804

IUPAC2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(I)cc2)CNC1
InChIInChI=1S/C11H12INO3/c12-8-1-3-9(4-2-8)16-11(5-10(14)15)6-13-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyQKQAHFYHEKDHOS-UHFFFAOYSA-N
MW333.13 g/mol
LogP1.49
Rot. Bonds4

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

2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140804) has the molecular formula C11H12INO3 and a molecular weight of 333.13 g/mol. Its IUPAC name is 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
PubChem CID107140804
Molecular FormulaC11H12INO3
Molecular Weight333.13 g/mol
Exact Mass332.99
IUPAC Name2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Oc2ccc(I)cc2)CNC1
InChIInChI=1S/C11H12INO3/c12-8-1-3-9(4-2-8)16-11(5-10(14)15)6-13-7-11/h1-4,13H,5-7H2,(H,14,15)
InChIKeyQKQAHFYHEKDHOS-UHFFFAOYSA-N
XLogP1.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.13
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[3-(4-acetylphenoxy)azetidin-3-yl]acetic acid
CID 107140663
2-[3-(4-propanoylphenoxy)azetidin-3-yl]acetic acid
CID 107140698
2-[3-[4-(2-oxopyrrolidin-1-yl)phenoxy]azetidin-3-yl]acetic acid
CID 107140819
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720
2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
2-(3-methoxyazetidin-3-yl)acetic acid
CID 105428756
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
CID 107141007
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid (CID 107140804) is 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid is O=C(O)CC1(Oc2ccc(I)cc2)CNC1.
What is the InChIKey of 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid?
The InChIKey is QKQAHFYHEKDHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO3/c12-8-1-3-9(4-2-8)16-11(5-10(14)15)6-13-7-11/h1-4,13H,5-7H2,(H,14,15).
What are the key properties of 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid?
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid has a molecular weight of 333.13 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).