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

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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).