(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one

C12H15NO2 — CID 15172767

IUPAC(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
SMILESO=C([C@@H](O)Cc1ccccc1)N1CCC1
InChIInChI=1S/C12H15NO2/c14-11(12(15)13-7-4-8-13)9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2/t11-/m0/s1
InChIKeyAPASDWUSKMIOHY-NSHDSACASA-N
MW205.26 g/mol
LogP0.82
Rot. Bonds3

About (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one

(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one (PubChem CID 15172767) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
PubChem CID15172767
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one
SMILESO=C([C@@H](O)Cc1ccccc1)N1CCC1
InChIInChI=1S/C12H15NO2/c14-11(12(15)13-7-4-8-13)9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2/t11-/m0/s1
InChIKeyAPASDWUSKMIOHY-NSHDSACASA-N
XLogP0.82
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(azepan-1-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107019625
1-[2-[1-[(2S)-2-hydroxy-3-phenylpropanoyl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70784494
2-amino-3-phenyl-1-(4-phenyl-1,4-diazepan-1-yl)propan-1-one;dihydrochloride
CID 119860769
1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-hydroxy-3-phenylpropan-1-one
CID 67423273
1-(8-azaspiro[4.5]decan-8-yl)-3-phenyl-2-sulfanylpropan-1-one
CID 107029334
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 2856106
(2R)-2-amino-1-(1,4-diazepan-1-yl)-3-phenylpropan-1-one
CID 78985520
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
2-[(2S)-1-(azepan-1-yl)-1-oxo-3-phenylpropan-2-yl]isoindole-1,3-dione
CID 1167505

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one?
The IUPAC name of (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one (CID 15172767) is (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one.
What is the SMILES notation for (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one?
The canonical SMILES for (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one is O=C([C@@H](O)Cc1ccccc1)N1CCC1.
What is the InChIKey of (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one?
The InChIKey is APASDWUSKMIOHY-NSHDSACASA-N. The full InChI is InChI=1S/C12H15NO2/c14-11(12(15)13-7-4-8-13)9-10-5-2-1-3-6-10/h1-3,5-6,11,14H,4,7-9H2/t11-/m0/s1.
What are the key properties of (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one?
(2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one has a molecular weight of 205.26 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(azetidin-1-yl)-2-hydroxy-3-phenylpropan-1-one is sourced from PubChem (CID 15172767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).