2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid

C13H18N2O3 — CID 107141007

IUPAC2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
SMILESCCc1nc(C)ccc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C13H18N2O3/c1-3-10-11(5-4-9(2)15-10)18-13(6-12(16)17)7-14-8-13/h4-5,14H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyCNUIXXXPMCCZCL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.15
Rot. Bonds5

About 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid

2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid (PubChem CID 107141007) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
PubChem CID107141007
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid
SMILESCCc1nc(C)ccc1OC1(CC(=O)O)CNC1
InChIInChI=1S/C13H18N2O3/c1-3-10-11(5-4-9(2)15-10)18-13(6-12(16)17)7-14-8-13/h4-5,14H,3,6-8H2,1-2H3,(H,16,17)
InChIKeyCNUIXXXPMCCZCL-UHFFFAOYSA-N
XLogP1.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid (CID 107141007) is 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid is CCc1nc(C)ccc1OC1(CC(=O)O)CNC1.
What is the InChIKey of 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid?
The InChIKey is CNUIXXXPMCCZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-10-11(5-4-9(2)15-10)18-13(6-12(16)17)7-14-8-13/h4-5,14H,3,6-8H2,1-2H3,(H,16,17).
What are the key properties of 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid?
2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-ethyl-6-methyl-3-pyridinyl)oxy]azetidin-3-yl]acetic acid is sourced from PubChem (CID 107141007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).