4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid

C9H15NO3 — CID 84660141

IUPAC4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid
SMILESO=C(O)C12CCN(CCC1O)CC2
InChIInChI=1S/C9H15NO3/c11-7-1-4-10-5-2-9(7,3-6-10)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyGAKXMYCSUZMRGM-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.08
Rot. Bonds1

About 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid

4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid (PubChem CID 84660141) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid
PubChem CID84660141
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid
SMILESO=C(O)C12CCN(CCC1O)CC2
InChIInChI=1S/C9H15NO3/c11-7-1-4-10-5-2-9(7,3-6-10)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyGAKXMYCSUZMRGM-UHFFFAOYSA-N
XLogP-0.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 105434470
4-(1-carboxycyclopropyl)piperidine-1-carboxylic acid
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1-cyclopropyl-4-hydroxycyclohexane-1-carboxylic acid
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1-azabicyclo[2.2.1]heptane-4-carboxylic acid
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1-azabicyclo[2.1.1]hexane-4-carboxylic acid
CID 153412459
3-hydroxy-1-azabicyclo[2.2.2]octane-3-carboxylic acid
CID 20568205
4-hydroxy-3-methylpiperidine-1,3-dicarboxylic acid
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2,3-dihydroxybicyclo[2.2.1]heptane-1-carboxylic acid
CID 140997258
1-(1-methylpiperidin-3-yl)cyclopropane-1-carboxylic acid
CID 82407097
1-azabicyclo[2.2.2]octane;prop-2-enoic acid
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CID 66850737

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid?
The IUPAC name of 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid (CID 84660141) is 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid is O=C(O)C12CCN(CCC1O)CC2.
What is the InChIKey of 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid?
The InChIKey is GAKXMYCSUZMRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-1-4-10-5-2-9(7,3-6-10)8(12)13/h7,11H,1-6H2,(H,12,13).
What are the key properties of 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid?
4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-azabicyclo[3.2.2]nonane-5-carboxylic acid is sourced from PubChem (CID 84660141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).