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

C9H16ClNO3 — CID 118235868

IUPACmethyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
SMILESCOC(=O)C1C2CNCC1COC2.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-12-9(11)8-6-2-10-3-7(8)5-13-4-6;/h6-8,10H,2-5H2,1H3;1H
InChIKeyVXOSUTJVQPKLSL-UHFFFAOYSA-N
MW221.68 g/mol
LogP0.06
Rot. Bonds1

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

methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride (PubChem CID 118235868) has the molecular formula C9H16ClNO3 and a molecular weight of 221.68 g/mol. Its IUPAC name is methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
PubChem CID118235868
Molecular FormulaC9H16ClNO3
Molecular Weight221.68 g/mol
Exact Mass221.08
IUPAC Namemethyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride
SMILESCOC(=O)C1C2CNCC1COC2.Cl
InChIInChI=1S/C9H15NO3.ClH/c1-12-9(11)8-6-2-10-3-7(8)5-13-4-6;/h6-8,10H,2-5H2,1H3;1H
InChIKeyVXOSUTJVQPKLSL-UHFFFAOYSA-N
XLogP0.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.68
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylic acid
CID 71757780
(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-furo[3,4-c]pyrrole;ethane
CID 163257227
oxalic acid;bis(3-(oxetan-3-yl)azetidine)
CID 84819356
dimethyl (3R,5R)-piperidine-3,5-dicarboxylate
CID 69137212
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
methyl (3R,4S)-4-methylpyrrolidine-3-carboxylate;hydrochloride
CID 131632354
methyl (1S,5R)-3-azabicyclo[3.3.1]nonane-7-carboxylate;hydrochloride
CID 154814550
methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
CID 84659219
methyl (1R,4R,7R)-2-azabicyclo[2.2.1]heptane-7-carboxylate
CID 129430636
methyl 5-methylpiperidine-3-carboxylate;hydrochloride
CID 75464874
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
methyl 7-oxa-1-azaspiro[3.5]nonane-3-carboxylate;hydrochloride
CID 155970957

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride?
The IUPAC name of methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride (CID 118235868) is methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride is COC(=O)C1C2CNCC1COC2.Cl.
What is the InChIKey of methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride?
The InChIKey is VXOSUTJVQPKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3.ClH/c1-12-9(11)8-6-2-10-3-7(8)5-13-4-6;/h6-8,10H,2-5H2,1H3;1H.
What are the key properties of methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride?
methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride has a molecular weight of 221.68 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxa-7-azabicyclo[3.3.1]nonane-9-carboxylate;hydrochloride is sourced from PubChem (CID 118235868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).