1-azabicyclo[4.3.1]decane-8-carboxylic acid

C10H17NO2 — CID 19848697

IUPAC1-azabicyclo[4.3.1]decane-8-carboxylic acid
SMILESO=C(O)C1CC2CCCCN(C2)C1
InChIInChI=1S/C10H17NO2/c12-10(13)9-5-8-3-1-2-4-11(6-8)7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyXGTCFLFKSYZJNR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.19
Rot. Bonds1

About 1-azabicyclo[4.3.1]decane-8-carboxylic acid

1-azabicyclo[4.3.1]decane-8-carboxylic acid (PubChem CID 19848697) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-azabicyclo[4.3.1]decane-8-carboxylic acid.

Molecular Properties

Compound Name1-azabicyclo[4.3.1]decane-8-carboxylic acid
PubChem CID19848697
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-azabicyclo[4.3.1]decane-8-carboxylic acid
SMILESO=C(O)C1CC2CCCCN(C2)C1
InChIInChI=1S/C10H17NO2/c12-10(13)9-5-8-3-1-2-4-11(6-8)7-9/h8-9H,1-7H2,(H,12,13)
InChIKeyXGTCFLFKSYZJNR-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-azabicyclo[4.3.1]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

Related Compounds

(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 130631700
1-azabicyclo[3.2.1]octane-3-carboxamide
CID 45084388
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
(2R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxylic acid
CID 98202645
1-azabicyclo[3.3.1]nonan-3-yl(methyl)carbamic acid
CID 19075558
(3R,5S)-1-azabicyclo[3.3.1]nonan-3-ol
CID 96839852
cyclopentanecarboxylic acid
CID 18840
cyclotetracosanecarboxylic acid
CID 176986816
cyclohexanecarboxylic acid
CID 11286469
cyclooctadecane-1,7,13-tricarboxylic acid
CID 10715056
cyclopentanecarboxylic acid;indigane
CID 173230713
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)azetidine-3-carboxylic acid
CID 165477842

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[4.3.1]decane-8-carboxylic acid?
The IUPAC name of 1-azabicyclo[4.3.1]decane-8-carboxylic acid (CID 19848697) is 1-azabicyclo[4.3.1]decane-8-carboxylic acid.
What is the SMILES notation for 1-azabicyclo[4.3.1]decane-8-carboxylic acid?
The canonical SMILES for 1-azabicyclo[4.3.1]decane-8-carboxylic acid is O=C(O)C1CC2CCCCN(C2)C1.
What is the InChIKey of 1-azabicyclo[4.3.1]decane-8-carboxylic acid?
The InChIKey is XGTCFLFKSYZJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(13)9-5-8-3-1-2-4-11(6-8)7-9/h8-9H,1-7H2,(H,12,13).
What are the key properties of 1-azabicyclo[4.3.1]decane-8-carboxylic acid?
1-azabicyclo[4.3.1]decane-8-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[4.3.1]decane-8-carboxylic acid is sourced from PubChem (CID 19848697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).