2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone

C11H22N2O2 — CID 107219490

IUPAC2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
SMILESCCC1(O)CN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-5-11(15)7-13(8-11)9(14)6-12-10(2,3)4/h12,15H,5-8H2,1-4H3
InChIKeyMTDXVPIHHLTUFE-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.36
Rot. Bonds3

About 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone

2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone (PubChem CID 107219490) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
PubChem CID107219490
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
SMILESCCC1(O)CN(C(=O)CNC(C)(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-5-11(15)7-13(8-11)9(14)6-12-10(2,3)4/h12,15H,5-8H2,1-4H3
InChIKeyMTDXVPIHHLTUFE-UHFFFAOYSA-N
XLogP0.36
TPSA52.57 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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(tert-butylamino)-1-(2,2,6,6-tetramethylmorpholin-4-yl)ethanone
CID 102737650
2-(tert-butylamino)-1-(3,3-dimethylpyrrolidin-1-yl)ethanone
CID 79036668
1-[2-(tert-butylamino)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 79257130
1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
CID 107219691
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562004
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
4-[2-(tert-butylamino)acetyl]-N-ethylpiperazine-1-carboxamide
CID 112723929
3-amino-3-cyclopropyl-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
CID 107219609
4-amino-1-(3-ethyl-3-hydroxyazetidin-1-yl)butan-1-one
CID 107219689
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone (CID 107219490) is 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone is CCC1(O)CN(C(=O)CNC(C)(C)C)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is MTDXVPIHHLTUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-5-11(15)7-13(8-11)9(14)6-12-10(2,3)4/h12,15H,5-8H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone?
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 107219490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).