2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid

C12H11ClN2O3 — CID 107140947

IUPAC2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid
SMILESN#Cc1ccc(Cl)cc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C12H11ClN2O3/c13-9-2-1-8(5-14)10(3-9)18-12(4-11(16)17)6-15-7-12/h1-3,15H,4,6-7H2,(H,16,17)
InChIKeyQTBOETMREDLZKF-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.41
Rot. Bonds4

About 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid

2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid (PubChem CID 107140947) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid
PubChem CID107140947
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid
SMILESN#Cc1ccc(Cl)cc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C12H11ClN2O3/c13-9-2-1-8(5-14)10(3-9)18-12(4-11(16)17)6-15-7-12/h1-3,15H,4,6-7H2,(H,16,17)
InChIKeyQTBOETMREDLZKF-UHFFFAOYSA-N
XLogP1.41
TPSA82.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(3-cyanophenoxy)azetidin-3-yl]acetic acid
CID 107140720
2-[3-(2-chloro-4-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140808
2-[3-(3-chloro-2-fluorophenoxy)azetidin-3-yl]acetic acid
CID 107140986
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
2-[3-(4,5-dichloro-2-nitrophenoxy)azetidin-3-yl]acetic acid
CID 107499259
2-[2-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460814
2-[3-(4-iodophenoxy)azetidin-3-yl]acetic acid
CID 107140804
2-[3-(4-propanoylphenoxy)azetidin-3-yl]acetic acid
CID 107140698
2-[3-(2-carbamoylphenoxy)azetidin-3-yl]acetic acid
CID 107140719
4-chloro-2-(chloromethoxy)benzonitrile
CID 130564109
2-[1-(5-chloro-2-cyanoanilino)cyclobutyl]acetic acid
CID 79846241
2-[3-[2-(trifluoromethoxy)phenoxy]azetidin-3-yl]acetic acid
CID 107140981

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid (CID 107140947) is 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid is N#Cc1ccc(Cl)cc1OC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid?
The InChIKey is QTBOETMREDLZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-2-1-8(5-14)10(3-9)18-12(4-11(16)17)6-15-7-12/h1-3,15H,4,6-7H2,(H,16,17).
What are the key properties of 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid?
2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid has a molecular weight of 266.68 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-chloro-2-cyanophenoxy)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107140947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).