tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate

C15H27N3O2 — CID 107234129

IUPACtert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC2CCN3CCC2C3)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-9-12(10-18)16-13-5-7-17-6-4-11(13)8-17/h11-13,16H,4-10H2,1-3H3
InChIKeyFIRACNLZEVMGPW-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.29
Rot. Bonds2

About tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate

tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate (PubChem CID 107234129) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
PubChem CID107234129
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Nametert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(NC2CCN3CCC2C3)C1
InChIInChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-9-12(10-18)16-13-5-7-17-6-4-11(13)8-17/h11-13,16H,4-10H2,1-3H3
InChIKeyFIRACNLZEVMGPW-UHFFFAOYSA-N
XLogP1.29
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[2-(1-azabicyclo[3.2.1]octan-4-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107249052
N-cyclopropyl-1-azabicyclo[3.2.1]octan-4-amine
CID 105363554
tert-butyl 3-[(2-methylsulfanylcyclohexyl)amino]azetidine-1-carboxylate
CID 103788176
tert-butyl 3-[[(3S)-pyrrolidin-3-yl]amino]azetidine-1-carboxylate
CID 67289806
tert-butyl 3-[(4-propan-2-ylcyclohexyl)amino]azetidine-1-carboxylate
CID 107241780
tert-butyl 3-[(2-methylcyclopropyl)amino]piperidine-1-carboxylate
CID 62397126
4-(cyclopropylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid;hydrochloride
CID 76854085
tert-butyl 3-[(2-methylthiolan-3-yl)amino]pyrrolidine-1-carboxylate
CID 102672017
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
CID 107249884
tert-butyl 3-(cyclopropylamino)-2-methylpyrrolidine-1-carboxylate
CID 83851054

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate (CID 107234129) is tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(NC2CCN3CCC2C3)C1.
What is the InChIKey of tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate?
The InChIKey is FIRACNLZEVMGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-15(2,3)20-14(19)18-9-12(10-18)16-13-5-7-17-6-4-11(13)8-17/h11-13,16H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate?
tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate is sourced from PubChem (CID 107234129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).