2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone

C11H14N2O3 — CID 107209920

IUPAC2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNc1cccc(OCC(=O)N2CC(O)C2)c1
InChIInChI=1S/C11H14N2O3/c12-8-2-1-3-10(4-8)16-7-11(15)13-5-9(14)6-13/h1-4,9,14H,5-7,12H2
InChIKeyVYSFNFXRRGEFLL-UHFFFAOYSA-N
MW222.24 g/mol
LogP-0.15
Rot. Bonds3

About 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone

2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 107209920) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID107209920
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESNc1cccc(OCC(=O)N2CC(O)C2)c1
InChIInChI=1S/C11H14N2O3/c12-8-2-1-3-10(4-8)16-7-11(15)13-5-9(14)6-13/h1-4,9,14H,5-7,12H2
InChIKeyVYSFNFXRRGEFLL-UHFFFAOYSA-N
XLogP-0.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-1-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114677451
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(3-aminophenoxy)ethanone
CID 61109614
2-(3-aminophenoxy)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 61095265
2-(3-fluorophenoxy)-1-(9-hydroxy-3-azabicyclo[3.3.1]nonan-3-yl)ethanone
CID 154837948
tert-butyl 4-[2-(3-aminophenoxy)acetyl]piperazine-1-carboxylate
CID 58795972
2-(3-ethylphenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66262044
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
CID 61103114
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone
CID 66262261
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
2-(3-aminophenoxy)-1-(2,3-dihydroindol-1-yl)ethanone
CID 61035060
1-[(3S)-3-hydroxypiperidin-1-yl]-2-(3-nitrophenoxy)ethanone
CID 107224214

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone (CID 107209920) is 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone is Nc1cccc(OCC(=O)N2CC(O)C2)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is VYSFNFXRRGEFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c12-8-2-1-3-10(4-8)16-7-11(15)13-5-9(14)6-13/h1-4,9,14H,5-7,12H2.
What are the key properties of 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone?
2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 222.24 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 107209920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).