tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate

C15H28N2O3 — CID 102672477

IUPACtert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
SMILESCOC1CC(NC2CN(C(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-10(9-17)16-11-7-12(19-6)15(11,4)5/h10-12,16H,7-9H2,1-6H3
InChIKeyAPTVLZQBJPHXIZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.01
Rot. Bonds3

About tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate

tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate (PubChem CID 102672477) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
PubChem CID102672477
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate
SMILESCOC1CC(NC2CN(C(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-10(9-17)16-11-7-12(19-6)15(11,4)5/h10-12,16H,7-9H2,1-6H3
InChIKeyAPTVLZQBJPHXIZ-UHFFFAOYSA-N
XLogP2.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (4S)-3-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 113352246
tert-butyl 3-[(3,3,5,5-tetramethylcyclohexyl)amino]azetidine-1-carboxylate
CID 103965667
tert-butyl 3-(cyclobutylamino)azetidine-1-carboxylate
CID 53484509
tert-butyl 3-[(3-propan-2-ylcyclobutyl)amino]azetidine-1-carboxylate
CID 103578453
tert-butyl 3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]pyrrolidine-1-carboxylate
CID 107239395
tert-butyl (3S,4S)-3,4-dimethoxypyrrolidine-1-carboxylate
CID 57078219
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 (4S)-3-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolidine-1-carboxylate
CID 107244862
tert-butyl 3-(1-azabicyclo[3.2.1]octan-4-ylamino)azetidine-1-carboxylate
CID 107234129
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate (CID 102672477) is tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate is COC1CC(NC2CN(C(=O)OC(C)(C)C)C2)C1(C)C.
What is the InChIKey of tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate?
The InChIKey is APTVLZQBJPHXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-14(2,3)20-13(18)17-8-10(9-17)16-11-7-12(19-6)15(11,4)5/h10-12,16H,7-9H2,1-6H3.
What are the key properties of tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(3-methoxy-2,2-dimethylcyclobutyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 102672477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).