methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate

C13H16N2O3 — CID 124672500

IUPACmethyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C13H16N2O3/c1-17-13(16)11-3-2-6-14-12(11)15-7-9-4-5-10(8-15)18-9/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-,10+
InChIKeyYWDMCFPPXHCFQX-AOOOYVTPSA-N
MW248.28 g/mol
LogP1.24
Rot. Bonds2

About methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate

methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate (PubChem CID 124672500) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
PubChem CID124672500
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C13H16N2O3/c1-17-13(16)11-3-2-6-14-12(11)15-7-9-4-5-10(8-15)18-9/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-,10+
InChIKeyYWDMCFPPXHCFQX-AOOOYVTPSA-N
XLogP1.24
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
methyl 2-[(3R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134417562
methyl 2-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]pyridine-3-carboxylate
CID 115538646
methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
1-(3-methoxycarbonyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690786
methyl 2-(5-bromo-4,4-difluoroazepan-1-yl)pyridine-3-carboxylate
CID 175582365
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-3-amine
CID 66391110
methyl 2-[3-hydroxy-4-[(2-methoxycyclohexyl)methyl]piperidin-1-yl]pyridine-3-carboxylate
CID 134413003
methyl 2-[4-(cycloheptylmethyl)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 134413006
methyl 2-(2-ethylthiomorpholin-4-yl)pyridine-3-carboxylate
CID 75522930
1-(3-methoxycarbonyl-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
CID 106742638
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate (CID 124672500) is methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate is COC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate?
The InChIKey is YWDMCFPPXHCFQX-AOOOYVTPSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-17-13(16)11-3-2-6-14-12(11)15-7-9-4-5-10(8-15)18-9/h2-3,6,9-10H,4-5,7-8H2,1H3/t9-,10+.
What are the key properties of methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate?
methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylate is sourced from PubChem (CID 124672500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).