5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid

C13H16N2O2 — CID 79694566

IUPAC5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CC3(CCCC3)C2)c1
InChIInChI=1S/C13H16N2O2/c16-12(17)10-5-11(7-14-6-10)15-8-13(9-15)3-1-2-4-13/h5-7H,1-4,8-9H2,(H,16,17)
InChIKeyKZAVDDRRRSNVCI-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.16
Rot. Bonds2

About 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid

5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid (PubChem CID 79694566) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
PubChem CID79694566
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cncc(N2CC3(CCCC3)C2)c1
InChIInChI=1S/C13H16N2O2/c16-12(17)10-5-11(7-14-6-10)15-8-13(9-15)3-1-2-4-13/h5-7H,1-4,8-9H2,(H,16,17)
InChIKeyKZAVDDRRRSNVCI-UHFFFAOYSA-N
XLogP2.16
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid?
The IUPAC name of 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid (CID 79694566) is 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid is O=C(O)c1cncc(N2CC3(CCCC3)C2)c1.
What is the InChIKey of 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid?
The InChIKey is KZAVDDRRRSNVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-12(17)10-5-11(7-14-6-10)15-8-13(9-15)3-1-2-4-13/h5-7H,1-4,8-9H2,(H,16,17).
What are the key properties of 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid?
5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid has a molecular weight of 232.28 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azaspiro[3.4]octan-2-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 79694566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).