6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C14H16N2O3 — CID 119137379

IUPAC6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C14H16N2O3/c17-12(10-2-1-5-15-9-10)16-6-3-14(4-7-16)8-11(14)13(18)19/h1-2,5,9,11H,3-4,6-8H2,(H,18,19)
InChIKeyYEICUJLQKSTYAK-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.41
Rot. Bonds2

About 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119137379) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119137379
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)c1cccnc1)CC2
InChIInChI=1S/C14H16N2O3/c17-12(10-2-1-5-15-9-10)16-6-3-14(4-7-16)8-11(14)13(18)19/h1-2,5,9,11H,3-4,6-8H2,(H,18,19)
InChIKeyYEICUJLQKSTYAK-UHFFFAOYSA-N
XLogP1.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-chloropyridine-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514677
N-(4-pyrazol-1-ylphenyl)-6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45208768
6-(4-chlorobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175381
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
6-(3-ethoxybenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175460
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
[(4R)-4-(1,3-oxazol-2-yl)-8-(pyridine-3-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]-phenylmethanone
CID 164629827
6-[3-(methylcarbamoyl)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514575
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
6-(3-nitrobenzoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174572
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
(2S)-6-(6-propan-2-yloxypyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467007

Frequently Asked Questions

What is the IUPAC name of 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119137379) is 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)c1cccnc1)CC2.
What is the InChIKey of 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is YEICUJLQKSTYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12(10-2-1-5-15-9-10)16-6-3-14(4-7-16)8-11(14)13(18)19/h1-2,5,9,11H,3-4,6-8H2,(H,18,19).
What are the key properties of 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 260.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridine-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119137379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).