9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid

C16H22N2O3 — CID 66755240

IUPAC9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCC(O)(c1cccnc1)CC2
InChIInChI=1S/C16H22N2O3/c19-14(20)18-10-7-15(8-11-18)3-5-16(21,6-4-15)13-2-1-9-17-12-13/h1-2,9,12,21H,3-8,10-11H2,(H,19,20)
InChIKeyPAQFZSWEQKIBEI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.60
Rot. Bonds1

About 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid

9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid (PubChem CID 66755240) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid.

Molecular Properties

Compound Name9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
PubChem CID66755240
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CCC(O)(c1cccnc1)CC2
InChIInChI=1S/C16H22N2O3/c19-14(20)18-10-7-15(8-11-18)3-5-16(21,6-4-15)13-2-1-9-17-12-13/h1-2,9,12,21H,3-8,10-11H2,(H,19,20)
InChIKeyPAQFZSWEQKIBEI-UHFFFAOYSA-N
XLogP2.60
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
4-prop-2-enoxy-4-pyridin-3-ylpiperidine-1-carboxylic acid
CID 68644265
1-[(3S)-3-(4-hydroxy-4-pyridin-3-ylpiperidine-1-carbonyl)-4-methylpiperazin-1-yl]ethanone
CID 95827555
(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-[(2S)-2-methyloxolan-2-yl]methanone
CID 126432712
1-(azepan-1-yl)-2-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 126468362
ethyl 3-hydroxy-3-pyridin-3-ylpyrrolidine-1-carboxylate
CID 86101343
4-amino-4-(pyridin-3-ylmethyl)piperidine-1-carboxylic acid
CID 166652941
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 72877334
N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid?
The IUPAC name of 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid (CID 66755240) is 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid.
What is the SMILES notation for 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid?
The canonical SMILES for 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid is O=C(O)N1CCC2(CC1)CCC(O)(c1cccnc1)CC2.
What is the InChIKey of 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid?
The InChIKey is PAQFZSWEQKIBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(20)18-10-7-15(8-11-18)3-5-16(21,6-4-15)13-2-1-9-17-12-13/h1-2,9,12,21H,3-8,10-11H2,(H,19,20).
What are the key properties of 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid?
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid is sourced from PubChem (CID 66755240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).