4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid

C15H25NO3 — CID 65299813

IUPAC4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-14(2,13(18)19)11-12(17)16-9-7-15(8-10-16)5-3-4-6-15/h3-11H2,1-2H3,(H,18,19)
InChIKeyFYTULALNAGCBQE-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.67
Rot. Bonds3

About 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid

4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid (PubChem CID 65299813) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
PubChem CID65299813
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid
SMILESCC(C)(CC(=O)N1CCC2(CCCC2)CC1)C(=O)O
InChIInChI=1S/C15H25NO3/c1-14(2,13(18)19)11-12(17)16-9-7-15(8-10-16)5-3-4-6-15/h3-11H2,1-2H3,(H,18,19)
InChIKeyFYTULALNAGCBQE-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic 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 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid (CID 65299813) is 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid is CC(C)(CC(=O)N1CCC2(CCCC2)CC1)C(=O)O.
What is the InChIKey of 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid?
The InChIKey is FYTULALNAGCBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-14(2,13(18)19)11-12(17)16-9-7-15(8-10-16)5-3-4-6-15/h3-11H2,1-2H3,(H,18,19).
What are the key properties of 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid?
4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid has a molecular weight of 267.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-4-oxobutanoic acid is sourced from PubChem (CID 65299813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).