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

C13H24N2O2 — CID 84702067

IUPACtert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate
SMILESCNC1(CC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10(9-15)7-13(14-4)5-6-13/h10,14H,5-9H2,1-4H3
InChIKeyOKFICDDJDPQZDT-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.00
Rot. Bonds3

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

tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate (PubChem CID 84702067) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate
PubChem CID84702067
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate
SMILESCNC1(CC2CN(C(=O)OC(C)(C)C)C2)CC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10(9-15)7-13(14-4)5-6-13/h10,14H,5-9H2,1-4H3
InChIKeyOKFICDDJDPQZDT-UHFFFAOYSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[(3-amino-1-bicyclo[1.1.1]pentanyl)methyl]azetidine-1-carboxylate
CID 165466796
tert-butyl 3-(hydroxymethyl)-3-(methylamino)azetidine-1-carboxylate
CID 130606000
tert-butyl 3-[[3-(methylamino)cyclobutyl]methyl]azetidine-1-carboxylate
CID 171081613
tert-butyl 2-[[1-(methylamino)cyclopropyl]methyl]piperidine-1-carboxylate
CID 84712234
tert-butyl 3-(aminomethyl)azetidine-1-carboxylate;hydrochloride
CID 45072199
[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]methanesulfinate
CID 58348222
tert-butyl 3-ethyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 145231619
2-O-tert-butyl 5-O,5-O'-dimethyl 1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-2,5,5-tricarboxylate
CID 14661831
tert-butyl 3-[2-methyl-2-(methylamino)propyl]pyrrolidine-1-carboxylate
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tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
CID 118111531
tert-butyl (1S,5S)-6-(methylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 98125344

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate (CID 84702067) is tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate is CNC1(CC2CN(C(=O)OC(C)(C)C)C2)CC1.
What is the InChIKey of tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate?
The InChIKey is OKFICDDJDPQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-8-10(9-15)7-13(14-4)5-6-13/h10,14H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate?
tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate has a molecular weight of 240.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(methylamino)cyclopropyl]methyl]azetidine-1-carboxylate is sourced from PubChem (CID 84702067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).