methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate

C11H19NO3 — CID 10846261

IUPACmethyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate
SMILESCOC(=O)[C@H]1CN2CC[C@H]1CC[C@H]2OC
InChIInChI=1S/C11H19NO3/c1-14-10-4-3-8-5-6-12(10)7-9(8)11(13)15-2/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeySUJLXBKPHMADAO-KXUCPTDWSA-N
MW213.28 g/mol
LogP0.86
Rot. Bonds2

About methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate

methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate (PubChem CID 10846261) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate.

Molecular Properties

Compound Namemethyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate
PubChem CID10846261
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Namemethyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate
SMILESCOC(=O)[C@H]1CN2CC[C@H]1CC[C@H]2OC
InChIInChI=1S/C11H19NO3/c1-14-10-4-3-8-5-6-12(10)7-9(8)11(13)15-2/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m1/s1
InChIKeySUJLXBKPHMADAO-KXUCPTDWSA-N
XLogP0.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate with MolForge

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Related Compounds

1-azabicyclo[2.2.2]octane;methyl 1-azabicyclo[2.2.2]octane-3-carboxylate;hydrochloride
CID 172821222
(2R,5R,6R)-6-ethyl-2-methoxy-1-azabicyclo[3.2.2]nonane
CID 101047369
methyl 6-methyl-1,6-diazatricyclo[6.2.2.02,7]dodecane-3-carboxylate
CID 83986224
methyl bicyclo[2.2.2]octane-2-carboxylate
CID 159345583
methyl 2-(2-methoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
CID 86175836
methyl (3R,4R)-4-amino-1-cyclohexylpiperidine-3-carboxylate
CID 175719062
methyl (1R,7R)-7-hydroxy-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1-carboxylate
CID 130875347
dimethyl (2S)-5-methoxypyrrolidine-1,2-dicarboxylate
CID 11053097
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl (1S,2S,4aS,8aR)-1-bromo-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxylate
CID 124921340
methyl 1-azabicyclo[2.2.1]heptane-2-carboxylate
CID 67858492

Frequently Asked Questions

What is the IUPAC name of methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate?
The IUPAC name of methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate (CID 10846261) is methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate.
What is the SMILES notation for methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate?
The canonical SMILES for methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate is COC(=O)[C@H]1CN2CC[C@H]1CC[C@H]2OC.
What is the InChIKey of methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate?
The InChIKey is SUJLXBKPHMADAO-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H19NO3/c1-14-10-4-3-8-5-6-12(10)7-9(8)11(13)15-2/h8-10H,3-7H2,1-2H3/t8-,9+,10-/m1/s1.
What are the key properties of methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate?
methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate has a molecular weight of 213.28 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,5R,6R)-2-methoxy-1-azabicyclo[3.2.2]nonane-6-carboxylate is sourced from PubChem (CID 10846261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).