tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

C18H32N2O3 — CID 103921567

IUPACtert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC1CC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-5-22-16-10-13(11-16)19-12-8-14-6-7-15(9-12)20(14)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyQJRQQWZQPSJDGV-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.07
Rot. Bonds4

About tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 103921567) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID103921567
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCOC1CC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H32N2O3/c1-5-22-16-10-13(11-16)19-12-8-14-6-7-15(9-12)20(14)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3
InChIKeyQJRQQWZQPSJDGV-UHFFFAOYSA-N
XLogP3.07
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate with MolForge

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Related Compounds

tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 82710466
tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103700806
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
tert-butyl 3-[(3-ethoxycyclobutyl)amino]piperidine-1-carboxylate
CID 103917519
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154
tert-butyl 3-[(5-methylthiolan-3-yl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244892
tert-butyl 3-[(3-aminocyclohexyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 107244911
tert-butyl (1S,5R)-3-[[(2S,4R)-1,2-dimethylpiperidin-4-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 124778533
tert-butyl (5R)-3-(cyclobutylmethoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 144719684
tert-butyl 3-(2,2,2-trifluoroethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103867606
tert-butyl 3-(2-ethoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103944098
tert-butyl 3-but-3-ynoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938953

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 103921567) is tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is CCOC1CC(NC2CC3CCC(C2)N3C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is QJRQQWZQPSJDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-5-22-16-10-13(11-16)19-12-8-14-6-7-15(9-12)20(14)17(21)23-18(2,3)4/h12-16,19H,5-11H2,1-4H3.
What are the key properties of tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 103921567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).