3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid

C10H11NO3 — CID 116930166

IUPAC3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccncc2)COC1
InChIInChI=1S/C10H11NO3/c12-9(13)10(6-14-7-10)5-8-1-3-11-4-2-8/h1-4H,5-7H2,(H,12,13)
InChIKeyIEKYYGRDYLAKDW-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.73
Rot. Bonds3

About 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid

3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid (PubChem CID 116930166) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid
PubChem CID116930166
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid
SMILESO=C(O)C1(Cc2ccncc2)COC1
InChIInChI=1S/C10H11NO3/c12-9(13)10(6-14-7-10)5-8-1-3-11-4-2-8/h1-4H,5-7H2,(H,12,13)
InChIKeyIEKYYGRDYLAKDW-UHFFFAOYSA-N
XLogP0.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(Pyridin-3-yl)propanoic acid
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4-Pyridinepropanol
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Ethyl 3-pyridylacetate
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3-Pyridinebutanoic acid
CID 114
(Z)-7-phenyl-7-pyridin-3-ylhept-6-enoic acid
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Methyl pyridine-3-acetate
CID 96475
CID 12904539
CID 12904539
8-Phenyl-8-pyridin-3-yl-oct-7-enoic acid
CID 13417259

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid (CID 116930166) is 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid is O=C(O)C1(Cc2ccncc2)COC1.
What is the InChIKey of 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid?
The InChIKey is IEKYYGRDYLAKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-9(13)10(6-14-7-10)5-8-1-3-11-4-2-8/h1-4H,5-7H2,(H,12,13).
What are the key properties of 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid?
3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid has a molecular weight of 193.20 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethyl)oxetane-3-carboxylic acid is sourced from PubChem (CID 116930166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).