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

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Launch Full Analysis

Related Compounds

methyl 6-(cyclopropylmethoxy)-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carboxylate
CID 118418684
6-(oxetan-3-ylmethoxy)-5-pyrrolidin-1-ylpyridine-2-carboxylic acid
CID 147994325
2-(3-aminooxolan-3-yl)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 162622488
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]methanone
CID 123443174
1-tert-butyl-1,3,3-trimethylurea;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204423
2-(tert-butylamino)acetamide;6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carboxylic acid
CID 90204266
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-(2-thia-6-azaspiro[3.3]heptan-6-yl)methanone
CID 144638507
5-amino-6-(cyclopropylmethoxy)pyridine-2-carboxylic acid
CID 114408700
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 130312677
6-(cyclopropylmethoxy)-5-(1-hydroxycyclobutyl)pyridine-2-carboxylic acid
CID 71087611
1-[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)pyridine-2-carbonyl]-2-phenylpiperidine-3-carboxylic acid
CID 154018976
[6-(cyclopropylmethoxy)-5-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-[(4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]methanone
CID 118451444

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).