3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid

C9H15NO3 — CID 122622738

IUPAC3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid
SMILESO=C(O)N1CCCC2(CCC2O)C1
InChIInChI=1S/C9H15NO3/c11-7-2-4-9(7)3-1-5-10(6-9)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyYKMYNQJUWLTGKJ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.90
Rot. Bonds

About 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid

3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid (PubChem CID 122622738) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid.

Molecular Properties

Compound Name3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid
PubChem CID122622738
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid
SMILESO=C(O)N1CCCC2(CCC2O)C1
InChIInChI=1S/C9H15NO3/c11-7-2-4-9(7)3-1-5-10(6-9)8(12)13/h7,11H,1-6H2,(H,12,13)
InChIKeyYKMYNQJUWLTGKJ-UHFFFAOYSA-N
XLogP0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The IUPAC name of 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid (CID 122622738) is 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid.
What is the SMILES notation for 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The canonical SMILES for 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid is O=C(O)N1CCCC2(CCC2O)C1.
What is the InChIKey of 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
The InChIKey is YKMYNQJUWLTGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c11-7-2-4-9(7)3-1-5-10(6-9)8(12)13/h7,11H,1-6H2,(H,12,13).
What are the key properties of 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid?
3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-azaspiro[3.5]nonane-6-carboxylic acid is sourced from PubChem (CID 122622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).