5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid

C12H15NO4 — CID 83213949

IUPAC5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCc2ccccn2)O1
InChIInChI=1S/C12H15NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h1-3,6,10-11H,4-5,7-8H2,(H,14,15)
InChIKeySYYCQXUQCHQHPR-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.23
Rot. Bonds5

About 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid

5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid (PubChem CID 83213949) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
PubChem CID83213949
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid
SMILESO=C(O)C1CCC(COCc2ccccn2)O1
InChIInChI=1S/C12H15NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h1-3,6,10-11H,4-5,7-8H2,(H,14,15)
InChIKeySYYCQXUQCHQHPR-UHFFFAOYSA-N
XLogP1.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-chlorophenyl)methoxymethyl]oxolane-2-carboxylic acid
CID 62300450
(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole;tris(2,2,2-trifluoroacetic acid)
CID 127021853
5-[(2-fluorophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299212
5-[(2,6-dibromophenoxy)methyl]oxolane-2-carboxylic acid
CID 62299573
5-[(3,4-dimethylphenoxy)methyl]oxolane-2-carboxylic acid
CID 62299571
(2R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]oxolane-2-carboxylic acid
CID 66663469
(3aS,5S,7aS)-1-[(1-methylimidazol-2-yl)methyl]-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97460664
(3aS,5R,7aS)-1-(5-methylpyrimidin-2-yl)-5-(pyridin-2-ylmethoxymethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461278
5-(cyclohexylmethoxymethyl)oxolane-2-carboxylic acid
CID 55067862
5-(pyridin-2-ylmethoxy)pentanoic acid
CID 83213720
5-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolane-2-carboxylic acid
CID 102689831
(3aS,5R,7aS)-5-(pyridin-2-ylmethoxymethyl)-1-(thiophen-3-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461270

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The IUPAC name of 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid (CID 83213949) is 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid is O=C(O)C1CCC(COCc2ccccn2)O1.
What is the InChIKey of 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
The InChIKey is SYYCQXUQCHQHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-12(15)11-5-4-10(17-11)8-16-7-9-3-1-2-6-13-9/h1-3,6,10-11H,4-5,7-8H2,(H,14,15).
What are the key properties of 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid?
5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-2-ylmethoxymethyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 83213949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).