2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid

C12H12N2O3 — CID 107140720

IUPAC2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
SMILESN#Cc1cccc(OC2(CC(=O)O)CNC2)c1
InChIInChI=1S/C12H12N2O3/c13-6-9-2-1-3-10(4-9)17-12(5-11(15)16)7-14-8-12/h1-4,14H,5,7-8H2,(H,15,16)
InChIKeyFWQFBGUPKULKAC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.75
Rot. Bonds4

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

2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140720) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
PubChem CID107140720
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
SMILESN#Cc1cccc(OC2(CC(=O)O)CNC2)c1
InChIInChI=1S/C12H12N2O3/c13-6-9-2-1-3-10(4-9)17-12(5-11(15)16)7-14-8-12/h1-4,14H,5,7-8H2,(H,15,16)
InChIKeyFWQFBGUPKULKAC-UHFFFAOYSA-N
XLogP0.75
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981
3-(azetidin-3-yloxy)benzonitrile;2,2,2-trifluoroacetic acid
CID 166747193
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
2-[2-(3-cyanophenoxy)ethoxy]benzoic acid
CID 43532247
4-(3-cyanophenoxy)but-2-enoic acid
CID 76940598
2-[3-(5,7-dibromoquinolin-8-yl)oxyazetidin-3-yl]acetic acid
CID 107140830
methyl 2-(3-cyanophenoxy)butanoate
CID 86007369
3-(4-hydroxypyrrolidin-3-yl)oxybenzonitrile
CID 63705014
2-[3-[4-(2-oxopyrrolidin-1-yl)phenoxy]azetidin-3-yl]acetic acid
CID 107140819
5-bromo-2-(3-cyanophenoxy)benzoic acid
CID 114061355

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid (CID 107140720) is 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid is N#Cc1cccc(OC2(CC(=O)O)CNC2)c1.
What is the InChIKey of 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid?
The InChIKey is FWQFBGUPKULKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c13-6-9-2-1-3-10(4-9)17-12(5-11(15)16)7-14-8-12/h1-4,14H,5,7-8H2,(H,15,16).
What are the key properties of 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid?
2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).