3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one

C15H20N2O2 — CID 107273470

IUPAC3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESNc1ccccc1CCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H20N2O2/c16-13-4-2-1-3-11(13)5-8-14(18)17-9-15(19,10-17)12-6-7-12/h1-4,12,19H,5-10,16H2
InChIKeyVBRPACMHQMLTSE-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.18
Rot. Bonds4

About 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one

3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 107273470) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID107273470
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESNc1ccccc1CCC(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H20N2O2/c16-13-4-2-1-3-11(13)5-8-14(18)17-9-15(19,10-17)12-6-7-12/h1-4,12,19H,5-10,16H2
InChIKeyVBRPACMHQMLTSE-UHFFFAOYSA-N
XLogP1.18
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminophenyl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
CID 120609365
3-(2-aminophenyl)-1-(4-ethylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120609548
3-(2-aminophenyl)-1-(4-ethenylpiperidin-1-yl)propan-1-one
CID 120610694
3-(2-aminophenyl)-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 66369332
3-(2-aminophenyl)-1-(4-methylazepan-1-yl)propan-1-one
CID 63625999
3-(2-aminophenyl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 114799225
3-(2-aminophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]propan-1-one
CID 82015246
3-[1-[3-(2-aminophenyl)propanoyl]pyrrolidin-3-yl]propanoic acid
CID 107273313
3-(2-aminophenyl)-1-(4,4-diethylpiperidin-1-yl)propan-1-one
CID 63162343
3-(2-aminophenyl)-1-(4,4-dimethylazepan-1-yl)propan-1-one
CID 65282012
3-(2-aminophenyl)-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 120611230
3-(2-aminophenyl)-1-(4-tert-butylazepan-1-yl)propan-1-one
CID 120610844

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 107273470) is 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one is Nc1ccccc1CCC(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is VBRPACMHQMLTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13-4-2-1-3-11(13)5-8-14(18)17-9-15(19,10-17)12-6-7-12/h1-4,12,19H,5-10,16H2.
What are the key properties of 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one?
3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 260.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107273470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).