3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid

C15H19NO4 — CID 58548534

IUPAC3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C15H19NO4/c17-15(18)11-8-12(9-11)20-14-13(2-1-5-16-14)10-3-6-19-7-4-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,18)
InChIKeyLAAQDPUFJCYIKZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.22
Rot. Bonds4

About 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid

3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid (PubChem CID 58548534) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
PubChem CID58548534
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CC(Oc2ncccc2C2CCOCC2)C1
InChIInChI=1S/C15H19NO4/c17-15(18)11-8-12(9-11)20-14-13(2-1-5-16-14)10-3-6-19-7-4-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,18)
InChIKeyLAAQDPUFJCYIKZ-UHFFFAOYSA-N
XLogP2.22
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid (CID 58548534) is 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid is O=C(O)C1CC(Oc2ncccc2C2CCOCC2)C1.
What is the InChIKey of 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
The InChIKey is LAAQDPUFJCYIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c17-15(18)11-8-12(9-11)20-14-13(2-1-5-16-14)10-3-6-19-7-4-10/h1-2,5,10-12H,3-4,6-9H2,(H,17,18).
What are the key properties of 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid?
3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 58548534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).