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

C14H26N2O3 — CID 82710466

IUPACtert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCONC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-18-15-10-8-11-6-7-12(9-10)16(11)13(17)19-14(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyNOWQLTMMDLCFOI-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds3

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

tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (PubChem CID 82710466) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
PubChem CID82710466
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Nametert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
SMILESCCONC1CC2CCC(C1)N2C(=O)OC(C)(C)C
InChIInChI=1S/C14H26N2O3/c1-5-18-15-10-8-11-6-7-12(9-10)16(11)13(17)19-14(2,3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyNOWQLTMMDLCFOI-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(2,2,2-trifluoroethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103867606
tert-butyl 3-[(3-ethoxycyclobutyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103921567
tert-butyl (1S,5S)-3-(methylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98122671
tert-butyl (1S,5S)-3-hydrazinyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 58338154
tert-butyl 3-(2-ethoxypropylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103944098
tert-butyl 3-[(3-methylcyclopentyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103700806
tert-butyl (1R,5R)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 98043302
tert-butyl 3-(1-methylsulfanylbutan-2-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103949239
tert-butyl 3-hydrazinyl-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171951229
tert-butyl 3-(piperidin-1-ylamino)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 103881761
tert-butyl 3-[(2,2-difluoro-3-hydroxypropyl)amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 104857661
tert-butyl (5R)-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 169176648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The IUPAC name of tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate (CID 82710466) is tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is CCONC1CC2CCC(C1)N2C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
The InChIKey is NOWQLTMMDLCFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-18-15-10-8-11-6-7-12(9-10)16(11)13(17)19-14(2,3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate?
tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate has a molecular weight of 270.37 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(ethoxyamino)-8-azabicyclo[3.2.1]octane-8-carboxylate is sourced from PubChem (CID 82710466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).