1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone

C11H22N2O2 — CID 107220230

IUPAC1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(15)6-13(7-11)10(14)5-12-9(3)4/h8-9,12,15H,5-7H2,1-4H3
InChIKeyQUSYPBPPSCUTLF-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.21
Rot. Bonds4

About 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone

1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 107220230) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
PubChem CID107220230
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-8(2)11(15)6-13(7-11)10(14)5-12-9(3)4/h8-9,12,15H,5-7H2,1-4H3
InChIKeyQUSYPBPPSCUTLF-UHFFFAOYSA-N
XLogP0.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107218906
3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220129
5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
CID 107214631
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
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
azepan-1-yl-(3-hydroxy-3-propan-2-ylazetidin-1-yl)methanone
CID 79152113
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
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
1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 60841644

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone (CID 107220230) is 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)N1CC(O)(C(C)C)C1.
What is the InChIKey of 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is QUSYPBPPSCUTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)11(15)6-13(7-11)10(14)5-12-9(3)4/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone?
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 214.31 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 107220230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).