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

C15H20N2O2 — CID 107218805

IUPAC(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H20N2O2/c16-13(8-11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2/t13-/m0/s1
InChIKeyDAFZJVZPFUYIHC-ZDUSSCGKSA-N
MW260.34 g/mol
LogP0.54
Rot. Bonds4

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

(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one (PubChem CID 107218805) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
PubChem CID107218805
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one
SMILESN[C@@H](Cc1ccccc1)C(=O)N1CC(O)(C2CC2)C1
InChIInChI=1S/C15H20N2O2/c16-13(8-11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2/t13-/m0/s1
InChIKeyDAFZJVZPFUYIHC-ZDUSSCGKSA-N
XLogP0.54
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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-3-phenylpropan-1-one
CID 57096305
3-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-2-phenylpropan-1-one
CID 107218759
2-amino-1-(3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 22610288
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
2-amino-1-(3-methylpyrrolidin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119303310
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
1-[(2S)-2-amino-3-phenylpropanoyl]piperidine-4-carbonitrile
CID 57253914
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
(2S)-2-amino-1-(2,6-dimethylmorpholin-4-yl)-3-phenylpropan-1-one
CID 61148531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one?
The IUPAC name of (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one (CID 107218805) is (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one?
The canonical SMILES for (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one is N[C@@H](Cc1ccccc1)C(=O)N1CC(O)(C2CC2)C1.
What is the InChIKey of (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one?
The InChIKey is DAFZJVZPFUYIHC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c16-13(8-11-4-2-1-3-5-11)14(18)17-9-15(19,10-17)12-6-7-12/h1-5,12-13,19H,6-10,16H2/t13-/m0/s1.
What are the key properties of (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one?
(2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one has a molecular weight of 260.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-3-phenylpropan-1-one is sourced from PubChem (CID 107218805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).