3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one

C11H22N2O2 — CID 107220129

IUPAC3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCCNCCC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-4-12-6-5-10(14)13-7-11(15,8-13)9(2)3/h9,12,15H,4-8H2,1-3H3
InChIKeyOEIPOARNCFNUOZ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds5

About 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one

3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one (PubChem CID 107220129) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
PubChem CID107220129
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
SMILESCCNCCC(=O)N1CC(O)(C(C)C)C1
InChIInChI=1S/C11H22N2O2/c1-4-12-6-5-10(14)13-7-11(15,8-13)9(2)3/h9,12,15H,4-8H2,1-3H3
InChIKeyOEIPOARNCFNUOZ-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-5-oxopentanoic acid
CID 107214631
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 107220230
3-(ethylamino)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 62831735
3-ethyl-1-[3-(ethylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63145001
1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-3-piperidin-4-ylpropan-1-one
CID 107220234
3-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-4-methylpentan-1-one
CID 107220182
1-(3-ethyl-3-hydroxyazetidin-1-yl)-3-(methylamino)propan-1-one
CID 107219691
N-[1-[3-(ethylamino)propanoyl]piperidin-4-yl]butanamide
CID 62835122
N-(2-aminoethyl)-2-(3-hydroxy-3-propan-2-ylazetidin-1-yl)-2-oxoacetamide
CID 107211832
N-ethyl-2-[4-[3-(ethylamino)propanoyl]piperazin-1-yl]acetamide
CID 62834367
(2S)-2-amino-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one
CID 107220086
3-(ethylamino)-1-(4-propylsulfonylpiperazin-1-yl)propan-1-one
CID 55121142

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one (CID 107220129) is 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one is CCNCCC(=O)N1CC(O)(C(C)C)C1.
What is the InChIKey of 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
The InChIKey is OEIPOARNCFNUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-12-6-5-10(14)13-7-11(15,8-13)9(2)3/h9,12,15H,4-8H2,1-3H3.
What are the key properties of 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one?
3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-(3-hydroxy-3-propan-2-ylazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107220129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).