2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid

C11H15N3O3 — CID 66319441

IUPAC2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCCOc1cc(N2CC(CC(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-2-17-10-4-9(12-7-13-10)14-5-8(6-14)3-11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyMBBBYBSZNIRBIY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.79
Rot. Bonds5

About 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid

2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid (PubChem CID 66319441) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
PubChem CID66319441
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid
SMILESCCOc1cc(N2CC(CC(=O)O)C2)ncn1
InChIInChI=1S/C11H15N3O3/c1-2-17-10-4-9(12-7-13-10)14-5-8(6-14)3-11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16)
InChIKeyMBBBYBSZNIRBIY-UHFFFAOYSA-N
XLogP0.79
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid (CID 66319441) is 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid is CCOc1cc(N2CC(CC(=O)O)C2)ncn1.
What is the InChIKey of 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid?
The InChIKey is MBBBYBSZNIRBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-2-17-10-4-9(12-7-13-10)14-5-8(6-14)3-11(15)16/h4,7-8H,2-3,5-6H2,1H3,(H,15,16).
What are the key properties of 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid?
2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid has a molecular weight of 237.26 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-ethoxypyrimidin-4-yl)azetidin-3-yl]acetic acid is sourced from PubChem (CID 66319441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).