3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid

C11H19NO2 — CID 118238373

IUPAC3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CCC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C11H19NO2/c1-9-2-3-11(8-9)4-6-12(7-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyRQQUANUNJJVITI-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.57
Rot. Bonds

About 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid

3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid (PubChem CID 118238373) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
PubChem CID118238373
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid
SMILESCC1CCC2(CCN(C(=O)O)CC2)C1
InChIInChI=1S/C11H19NO2/c1-9-2-3-11(8-9)4-6-12(7-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14)
InChIKeyRQQUANUNJJVITI-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid (CID 118238373) is 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid is CC1CCC2(CCN(C(=O)O)CC2)C1.
What is the InChIKey of 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is RQQUANUNJJVITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-9-2-3-11(8-9)4-6-12(7-5-11)10(13)14/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid?
3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-azaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 118238373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).