3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one

C15H20N2O2 — CID 107218759

IUPAC3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CC(O)(C2CC2)C1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-8-13(11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2
InChIKeyYFKAXCKTEUWLGX-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.71
Rot. Bonds4

About 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one

3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one (PubChem CID 107218759) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
PubChem CID107218759
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
SMILESNCC(C(=O)N1CC(O)(C2CC2)C1)c1ccccc1
InChIInChI=1S/C15H20N2O2/c16-8-13(11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2
InChIKeyYFKAXCKTEUWLGX-UHFFFAOYSA-N
XLogP0.71
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 ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
CID 107218805
3-amino-1-(4,4-dimethylpiperidin-1-yl)-2-phenylpropan-1-one
CID 62937432
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
CID 83227880
3-amino-2-phenyl-1-[4-(trifluoromethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119707250
1-(3-amino-2-phenylpropanoyl)piperidine-3-carboxylic acid
CID 62877152
2-[1-(3-amino-2-phenylpropanoyl)piperidin-4-yl]acetamide;hydrochloride
CID 119727574
3-amino-1-(4-benzoylpiperazin-1-yl)-2-phenylpropan-1-one
CID 119683415
(2S)-3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one
CID 94888789
3-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 114797349
cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
3-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-phenylpropan-1-one;hydrochloride
CID 86777183
3-amino-1-[3-(dimethylamino)piperidin-1-yl]-2-phenylpropan-1-one;dihydrochloride
CID 119874478

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one?
The IUPAC name of 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one (CID 107218759) is 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one?
The canonical SMILES for 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one is NCC(C(=O)N1CC(O)(C2CC2)C1)c1ccccc1.
What is the InChIKey of 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one?
The InChIKey is YFKAXCKTEUWLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-8-13(11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2.
What are the key properties of 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one?
3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one has a molecular weight of 260.34 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 107218759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).