methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate

C10H17NO2 — CID 73356690

IUPACmethyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7/h7-9,11H,2-6H2,1H3
InChIKeyKKVXYSUHTSIQME-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.80
Rot. Bonds1

About methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate

methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 73356690) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID73356690
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 3-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1CC2CNCC(C2)C1
InChIInChI=1S/C10H17NO2/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7/h7-9,11H,2-6H2,1H3
InChIKeyKKVXYSUHTSIQME-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate 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

Methyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 47000746
2-{3-Azabicyclo[3.3.1]nonan-9-yl}acetic acid hydrochloride
CID 70004038
Ethyl 3-(piperidin-3-yl)propanoate hydrochloride
CID 71756985
Ethyl 9-oxo-3-azabicyclo(3.3.1)nonane-7-carboxylate hydrochloride
CID 155820043
methyl (1R,5R,9R)-2-azabicyclo[3.3.1]nonane-9-carboxylate
CID 102104419
methyl 3-[(3R)-3-ethylpiperidin-3-yl]propanoate
CID 172452200
2-{3-Azabicyclo[3.3.1]nonan-9-yl}acetic acid
CID 18670438
Ethyl 3-(piperidin-3-yl)propanoate
CID 21186558
Methyl 3-(piperidin-3-yl)propanoate
CID 16767465
3-Azoniabicyclo[3.3.1]nonane-7-carboxylic acid
CID 134859907
Ethyl 9,9-difluoro-3-azabicyclo[3.3.1]nonane-1-carboxylate
CID 71306032
Ethyl 9-fluoro-3-azabicyclo[3.3.1]nonane-1-carboxylate
CID 71306098

Frequently Asked Questions

What is the IUPAC name of methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate (CID 73356690) is methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate is COC(=O)C1CC2CNCC(C2)C1.
What is the InChIKey of methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is KKVXYSUHTSIQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-10(12)9-3-7-2-8(4-9)6-11-5-7/h7-9,11H,2-6H2,1H3.
What are the key properties of methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate?
methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 183.25 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-azabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 73356690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).