tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate

C14H26N2O2 — CID 171081613

IUPACtert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
SMILESCNC1CC(CC2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)5-10-6-12(7-10)15-4/h10-12,15H,5-9H2,1-4H3
InChIKeyCIOFBLGIHWQXGM-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate

tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate (PubChem CID 171081613) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
PubChem CID171081613
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
SMILESCNC1CC(CC2CN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)5-10-6-12(7-10)15-4/h10-12,15H,5-9H2,1-4H3
InChIKeyCIOFBLGIHWQXGM-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5R)-5-(methylamino)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 67320622
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344
tert-butyl 3-amino-5-hydroxypiperidine-1-carboxylate
CID 83680140
tert-butyl (3S,5S)-3-amino-5-hydroxypiperidine-1-carboxylate
CID 124510092
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
tert-butyl 3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 167732516
tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate
CID 84702067
tert-butyl 3-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]azetidine-1-carboxylate
CID 171082396
tert-butyl 3-azabicyclo[3.1.0]hexane-3-carboxylate;ethane
CID 164877477
tert-butyl (3R)-3-hydroxy-4-(methylaminomethyl)pyrrolidine-1-carboxylate
CID 130204392
tert-butyl (3R,5S)-3-(hydroxymethyl)-5-methylpiperidine-1-carboxylate
CID 118006982
tert-butyl 3-ethyl-5-(3-methylbutylamino)piperidine-1-carboxylate
CID 83995714

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate (CID 171081613) is tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate is CNC1CC(CC2CN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate?
The InChIKey is CIOFBLGIHWQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)16-8-11(9-16)5-10-6-12(7-10)15-4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 171081613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).