2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid

C17H29NO2 — CID 63161343

IUPAC2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)14-6-2-1-3-7-15(14)18-12-10-17(11-13-18)8-4-5-9-17/h14-15H,1-13H2,(H,19,20)
InChIKeyDDPUNEZAQYNDET-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.68
Rot. Bonds2

About 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid

2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid (PubChem CID 63161343) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
PubChem CID63161343
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1N1CCC2(CCCC2)CC1
InChIInChI=1S/C17H29NO2/c19-16(20)14-6-2-1-3-7-15(14)18-12-10-17(11-13-18)8-4-5-9-17/h14-15H,1-13H2,(H,19,20)
InChIKeyDDPUNEZAQYNDET-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-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 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid?
The IUPAC name of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid (CID 63161343) is 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1N1CCC2(CCCC2)CC1.
What is the InChIKey of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid?
The InChIKey is DDPUNEZAQYNDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-16(20)14-6-2-1-3-7-15(14)18-12-10-17(11-13-18)8-4-5-9-17/h14-15H,1-13H2,(H,19,20).
What are the key properties of 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid?
2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid has a molecular weight of 279.42 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azaspiro[4.5]decan-8-yl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 63161343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).