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

C9H18N2O2 — CID 103782621

IUPAC2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-4-8(13)11-5-7(12)6-11/h7,10,12H,4-6H2,1-3H3
InChIKeyIUGQRIVLWIVJFD-UHFFFAOYSA-N
MW186.25 g/mol
LogP-0.42
Rot. Bonds2

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

2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 103782621) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID103782621
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESCC(C)(C)NCC(=O)N1CC(O)C1
InChIInChI=1S/C9H18N2O2/c1-9(2,3)10-4-8(13)11-5-7(12)6-11/h7,10,12H,4-6H2,1-3H3
InChIKeyIUGQRIVLWIVJFD-UHFFFAOYSA-N
XLogP-0.42
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(tert-butylamino)ethanone
CID 78972991
2-(tert-butylamino)-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 78925625
2-(tert-butylamino)-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 79256799
1-(3-hydroxyazetidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 63832597
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-(tert-butylamino)ethanone
CID 113220942
2-(tert-butylamino)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112625258
2-(tert-butylamino)-1-(4-ethyl-3-methylpiperazin-1-yl)ethanone
CID 79256800
1-[2-(tert-butylamino)acetyl]piperidine-3-carboxylic acid
CID 79257373
2-(tert-butylamino)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 78928308
2-(tert-butylamino)-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81202840
3-(tert-butylamino)-1-[(3S)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 94896146
2-(tert-butylamino)-1-(3-ethyl-3-hydroxyazetidin-1-yl)ethanone
CID 107219490

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 103782621) is 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone is CC(C)(C)NCC(=O)N1CC(O)C1.
What is the InChIKey of 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is IUGQRIVLWIVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-9(2,3)10-4-8(13)11-5-7(12)6-11/h7,10,12H,4-6H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 186.25 g/mol, XLogP of -0.42, 2 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-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 103782621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).