tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate

C11H22N2O3 — CID 118996731

IUPACtert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(CCO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12(4)9-7-13(8-9)5-6-14/h9,14H,5-8H2,1-4H3
InChIKeyFYTUWAYHMXBNSD-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.53
Rot. Bonds3

About tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate

tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate (PubChem CID 118996731) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate
PubChem CID118996731
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CN(CCO)C1
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12(4)9-7-13(8-9)5-6-14/h9,14H,5-8H2,1-4H3
InChIKeyFYTUWAYHMXBNSD-UHFFFAOYSA-N
XLogP0.53
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate
CID 10511797
Tert-butyl 4-(1-hydroxypropan-2-yl)piperazine-1-carboxylate
CID 50987509
(R)-1-Boc-2-azetidinemethanol
CID 11074142
Tert-butyl 2-(hydroxymethyl)-4-methylpiperazine-1-carboxylate
CID 67298711
Tert-butyl 4-ethyl-2-(hydroxymethyl)piperazine-1-carboxylate
CID 68250376
Tert-butyl 3-(3-hydroxyazetidin-1-yl)pyrrolidine-1-carboxylate
CID 83843354
1-Azetidinecarboxylic acid, 3-(4-morpholinyl)-, 1,1-dimethylethyl ester
CID 67343295
Tert-butyl 3-hydroxy-2-methylazetidine-1-carboxylate
CID 91663889
Tert-butyl 3-[propyl(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846188
Tert-butyl 3-[(2-hydroxyethyl)(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846189
Tert-butyl 3-[ethyl(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846190
Tert-butyl 3-[methyl(3,3,3-trifluoro-2-hydroxypropyl)amino]azetidine-1-carboxylate
CID 126846191

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate (CID 118996731) is tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CN(CCO)C1.
What is the InChIKey of tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate?
The InChIKey is FYTUWAYHMXBNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)12(4)9-7-13(8-9)5-6-14/h9,14H,5-8H2,1-4H3.
What are the key properties of tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate?
tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate has a molecular weight of 230.31 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-hydroxyethyl)azetidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 118996731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).