6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid

C15H18N2O4 — CID 118418710

IUPAC6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-4-12(13(16-11)21-5-10-1-2-10)17-6-15(7-17)8-20-9-15/h3-4,10H,1-2,5-9H2,(H,18,19)
InChIKeyKKJLEZVRZXCTSJ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.41
Rot. Bonds5

About 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid

6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid (PubChem CID 118418710) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
PubChem CID118418710
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1
InChIInChI=1S/C15H18N2O4/c18-14(19)11-3-4-12(13(16-11)21-5-10-1-2-10)17-6-15(7-17)8-20-9-15/h3-4,10H,1-2,5-9H2,(H,18,19)
InChIKeyKKJLEZVRZXCTSJ-UHFFFAOYSA-N
XLogP1.41
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid (CID 118418710) is 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid is O=C(O)c1ccc(N2CC3(COC3)C2)c(OCC2CC2)n1.
What is the InChIKey of 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid?
The InChIKey is KKJLEZVRZXCTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-14(19)11-3-4-12(13(16-11)21-5-10-1-2-10)17-6-15(7-17)8-20-9-15/h3-4,10H,1-2,5-9H2,(H,18,19).
What are the key properties of 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid?
6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 118418710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).