methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

C9H15NO3 — CID 91634089

IUPACmethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C9H15NO3/c1-12-9(11)6-2-7-4-13-5-8(3-6)10-7/h6-8,10H,2-5H2,1H3
InChIKeyVMCYUBHBCOMWSN-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.07
Rot. Bonds1

About methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate

methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (PubChem CID 91634089) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
PubChem CID91634089
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
SMILESCOC(=O)C1CC2COCC(C1)N2
InChIInChI=1S/C9H15NO3/c1-12-9(11)6-2-7-4-13-5-8(3-6)10-7/h6-8,10H,2-5H2,1H3
InChIKeyVMCYUBHBCOMWSN-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-oxa-9-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

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The IUPAC name of methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate (CID 91634089) is methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate.
What is the SMILES notation for methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The canonical SMILES for methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is COC(=O)C1CC2COCC(C1)N2.
What is the InChIKey of methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
The InChIKey is VMCYUBHBCOMWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)6-2-7-4-13-5-8(3-6)10-7/h6-8,10H,2-5H2,1H3.
What are the key properties of methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate?
methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate is sourced from PubChem (CID 91634089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).