1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone

C11H20N2O2 — CID 107218906

IUPAC1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)12-5-10(14)13-6-11(15,7-13)9-3-4-9/h8-9,12,15H,3-7H2,1-2H3
InChIKeyWXZWTESPWZXTDG-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.03
Rot. Bonds4

About 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 107218906) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
PubChem CID107218906
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C11H20N2O2/c1-8(2)12-5-10(14)13-6-11(15,7-13)9-3-4-9/h8-9,12,15H,3-7H2,1-2H3
InChIKeyWXZWTESPWZXTDG-UHFFFAOYSA-N
XLogP-0.03
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethanone
CID 107218721
3-cyclopropyl-3-hydroxy-N,N-dimethylazetidine-1-carboxamide
CID 79154860
N-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]acetamide
CID 113402232
1-(4-piperidin-1-ylpiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 54874227
(2R)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-methylbutan-1-one
CID 107218806
1-[1-[2-(propan-2-ylamino)acetyl]piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61159988
1-(3-hydroxypiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 60841645
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
2-(propan-2-ylamino)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 156517459
1-(2,2-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)ethanone
CID 60841287
(3-cyclopropyl-3-hydroxyazetidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66475400

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone (CID 107218906) is 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is WXZWTESPWZXTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)12-5-10(14)13-6-11(15,7-13)9-3-4-9/h8-9,12,15H,3-7H2,1-2H3.
What are the key properties of 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 212.29 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 107218906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).