5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid

C12H14N2O3 — CID 177196396

IUPAC5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCOC3(CC3)C2)c1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-5-10(7-13-6-9)14-3-4-17-12(8-14)1-2-12/h5-7H,1-4,8H2,(H,15,16)
InChIKeyXJGTXLXFRRYOHC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.15
Rot. Bonds2

About 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid

5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid (PubChem CID 177196396) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid
PubChem CID177196396
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CCOC3(CC3)C2)c1
InChIInChI=1S/C12H14N2O3/c15-11(16)9-5-10(7-13-6-9)14-3-4-17-12(8-14)1-2-12/h5-7H,1-4,8H2,(H,15,16)
InChIKeyXJGTXLXFRRYOHC-UHFFFAOYSA-N
XLogP1.15
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-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

Related Compounds

5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
CID 79694566
5-chloro-6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carboxylic acid
CID 138383282
5-(4-methylpiperazin-1-yl)pyridine-3-carboxylic acid;trihydrochloride
CID 90489074
tert-butyl 4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394486
5-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carboxylic acid
CID 63154635
(9-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)-pyridin-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155827533
5-(1-oxa-4-azaspiro[5.5]undecan-4-yl)pyrazine-2-carboxylic acid
CID 122057052
5-[4-(cyclobutanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 177196759
5-[(3S)-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 126422492
5-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylpyridine-3-carboxamide
CID 109223215
6-oxa-9-azaspiro[4.5]decan-9-yl(pyridin-3-yl)methanone
CID 97232335
5-chloro-6-(2,2-dimethylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 43593034

Frequently Asked Questions

What is the IUPAC name of 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid (CID 177196396) is 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(N2CCOC3(CC3)C2)c1.
What is the InChIKey of 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid?
The InChIKey is XJGTXLXFRRYOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)9-5-10(7-13-6-9)14-3-4-17-12(8-14)1-2-12/h5-7H,1-4,8H2,(H,15,16).
What are the key properties of 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid?
5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 177196396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).