6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid

C15H20N2O3 — CID 122057283

IUPAC6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C15H20N2O3/c18-14(19)12-2-1-3-13(16-12)17-8-4-15(5-9-17)6-10-20-11-7-15/h1-3H,4-11H2,(H,18,19)
InChIKeyBGCNPPABHBVPKB-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.18
Rot. Bonds2

About 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid

6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid (PubChem CID 122057283) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
PubChem CID122057283
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C15H20N2O3/c18-14(19)12-2-1-3-13(16-12)17-8-4-15(5-9-17)6-10-20-11-7-15/h1-3H,4-11H2,(H,18,19)
InChIKeyBGCNPPABHBVPKB-UHFFFAOYSA-N
XLogP2.18
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyrazine-2-carboxylic acid
CID 122057284
6-(4,4-dimethylazepan-1-yl)pyridine-2-carboxylic acid
CID 65283066
6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
CID 122057048
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
6-[3-(oxan-4-yl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 122054567
6-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxylic acid
CID 62239023
6-(4-methoxy-4-methylazepan-1-yl)pyridine-2-carboxylic acid
CID 122051945
6-morpholin-4-ylpyridine-2-carbohydrazide
CID 67450200
6-(8-azaspiro[4.5]decan-8-yl)pyridine-2-sulfinic acid
CID 166716786
6-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]pyridine-2-carboxylic acid
CID 72885433
6-(3-hydroxyazetidin-1-yl)pyridine-2-carboxylic acid
CID 83830615
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001

Frequently Asked Questions

What is the IUPAC name of 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid (CID 122057283) is 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC3(CCOCC3)CC2)n1.
What is the InChIKey of 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid?
The InChIKey is BGCNPPABHBVPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)12-2-1-3-13(16-12)17-8-4-15(5-9-17)6-10-20-11-7-15/h1-3H,4-11H2,(H,18,19).
What are the key properties of 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid?
6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122057283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).