tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

C17H24N2O2 — CID 10684785

IUPACtert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(c1cccnc1)CC2
InChIInChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-14-7-4-9-17(19,10-8-14)13-6-5-11-18-12-13/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-,17+/m0/s1
InChIKeyUGXPIBCVIHEFJX-WMLDXEAASA-N
MW288.39 g/mol
LogP3.86
Rot. Bonds1

About tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 10684785) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID10684785
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Nametert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(c1cccnc1)CC2
InChIInChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-14-7-4-9-17(19,10-8-14)13-6-5-11-18-12-13/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-,17+/m0/s1
InChIKeyUGXPIBCVIHEFJX-WMLDXEAASA-N
XLogP3.86
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 140989394
tert-butyl 1-(3-aminophenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154484935
tert-butyl 3-oxo-4-pyridin-3-yl-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 58629663
tert-butyl 3-cyano-3-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 18519989
tert-butyl 6-hydroxy-6-pyridin-3-yl-2-azaspiro[3.3]heptane-2-carboxylate
CID 168920605
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpiperidine-4-carboxylic acid
CID 54382242
tert-butyl (1R,6R)-6-pyridin-3-yl-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate
CID 124848069
tert-butyl N-methyl-N-(1-pyridin-3-ylcyclopropyl)carbamate
CID 151516275
tert-butyl 1-benzoyl-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 67286302
tert-butyl 1-(1-hydroxy-2-methylpropan-2-yl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67328727
tert-butyl 6-amino-2-oxo-6-pyridin-3-yl-1H-pyrimidine-3-carboxylate
CID 146592883
tert-butyl N-methyl-N-(4-pyridin-3-ylpiperidin-4-yl)carbamate
CID 121230488

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 10684785) is tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is CC(C)(C)OC(=O)N1[C@H]2CCC[C@]1(c1cccnc1)CC2.
What is the InChIKey of tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is UGXPIBCVIHEFJX-WMLDXEAASA-N. The full InChI is InChI=1S/C17H24N2O2/c1-16(2,3)21-15(20)19-14-7-4-9-17(19,10-8-14)13-6-5-11-18-12-13/h5-6,11-12,14H,4,7-10H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1R,5S)-1-pyridin-3-yl-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 10684785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).