tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate

C11H22N2O2 — CID 105467938

IUPACtert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
SMILESCC1(CCNC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4)7-12-8-11/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyGLGBNROQWAKFSW-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.51
Rot. Bonds3

About tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate

tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate (PubChem CID 105467938) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
PubChem CID105467938
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Nametert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate
SMILESCC1(CCNC(=O)OC(C)(C)C)CNC1
InChIInChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4)7-12-8-11/h12H,5-8H2,1-4H3,(H,13,14)
InChIKeyGLGBNROQWAKFSW-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
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methyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrrolidine-3-carboxylate
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tert-butyl N-[[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]diaziridin-3-yl]methyl]carbamate
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tert-butyl N-[(5-fluoro-3-azabicyclo[3.1.1]heptan-1-yl)methyl]carbamate
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tert-butyl N-[2-(6-amino-1-methyl-1,4-diazepan-6-yl)ethyl]carbamate
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tert-butyl N-[(2,2,4-trimethylpiperidin-4-yl)methyl]carbamate
CID 117274696
[2-methyl-4-(3-methylazetidin-3-yl)butan-2-yl] carbamate
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tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
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tert-butyl N-[2-[1-(propan-2-ylamino)cyclopropyl]ethyl]carbamate
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CID 170190807

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate (CID 105467938) is tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate is CC1(CCNC(=O)OC(C)(C)C)CNC1.
What is the InChIKey of tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate?
The InChIKey is GLGBNROQWAKFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2,3)15-9(14)13-6-5-11(4)7-12-8-11/h12H,5-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate?
tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate has a molecular weight of 214.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-methylazetidin-3-yl)ethyl]carbamate is sourced from PubChem (CID 105467938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).