5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid

C9H15NO2 — CID 164560589

IUPAC5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCN1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C9H15NO2/c1-10-5-2-7(8(11)12)9(6-10)3-4-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHKGJHYMATSXBLP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.80
Rot. Bonds1

About 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid

5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid (PubChem CID 164560589) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid.

Molecular Properties

Compound Name5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
PubChem CID164560589
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid
SMILESCN1CCC(C(=O)O)C2(CC2)C1
InChIInChI=1S/C9H15NO2/c1-10-5-2-7(8(11)12)9(6-10)3-4-9/h7H,2-6H2,1H3,(H,11,12)
InChIKeyHKGJHYMATSXBLP-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The IUPAC name of 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid (CID 164560589) is 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid.
What is the SMILES notation for 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The canonical SMILES for 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid is CN1CCC(C(=O)O)C2(CC2)C1.
What is the InChIKey of 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
The InChIKey is HKGJHYMATSXBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-5-2-7(8(11)12)9(6-10)3-4-9/h7H,2-6H2,1H3,(H,11,12).
What are the key properties of 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid?
5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-azaspiro[2.5]octane-8-carboxylic acid is sourced from PubChem (CID 164560589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).