tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate

C11H22N2O2 — CID 71258498

IUPACtert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
SMILESCCN(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-6-12(5)9-7-13(8-9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3
InChIKeyIARJICXAXYHJAK-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds2

About tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate

tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate (PubChem CID 71258498) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
PubChem CID71258498
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate
SMILESCCN(C)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-6-12(5)9-7-13(8-9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3
InChIKeyIARJICXAXYHJAK-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R,4R)-3,4-bis[ethyl(methyl)carbamoyl]pyrrolidine-1-carboxylate
CID 75447651
tert-butyl 3-[methyl(2-methylsulfonyloxyethyl)amino]azetidine-1-carboxylate
CID 118295970
tert-butyl 3-[(4-chlorophenyl)methyl-methylamino]azetidine-1-carboxylate
CID 166358344
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 3-(4-hydroxy-N-methylanilino)azetidine-1-carboxylate
CID 172714195
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 (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
CID 54062816
tert-butyl 3-[2-[ethyl(methyl)amino]ethylamino]azetidine-1-carboxylate
CID 63302739
tert-butyl (3S,4S)-3,4-bis(hydroxymethyl)pyrrolidine-1-carboxylate
CID 59512458

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate (CID 71258498) is tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate is CCN(C)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate?
The InChIKey is IARJICXAXYHJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-6-12(5)9-7-13(8-9)10(14)15-11(2,3)4/h9H,6-8H2,1-5H3.
What are the key properties of tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate?
tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[ethyl(methyl)amino]azetidine-1-carboxylate is sourced from PubChem (CID 71258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).