(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one

C12H15NO3 — CID 11775681

IUPAC(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(O)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-8(14)10-11(12(15)13-10)16-7-9-5-3-2-4-6-9/h2-6,8,10-11,14H,7H2,1H3,(H,13,15)/t8?,10-,11+/m0/s1
InChIKeyXHSADXAFIANCFV-JCBFREDQSA-N
MW221.26 g/mol
LogP0.45
Rot. Bonds4

About (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one

(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one (PubChem CID 11775681) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
PubChem CID11775681
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one
SMILESCC(O)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1
InChIInChI=1S/C12H15NO3/c1-8(14)10-11(12(15)13-10)16-7-9-5-3-2-4-6-9/h2-6,8,10-11,14H,7H2,1H3,(H,13,15)/t8?,10-,11+/m0/s1
InChIKeyXHSADXAFIANCFV-JCBFREDQSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-diphenylethyl)-3-phenylmethoxyazetidin-2-one
CID 56983411
(3R,4S)-4-tert-butyl-3-phenylmethoxyazetidin-2-one
CID 20735664
(3R,4R,5S)-4-hydroxy-5-[(1R)-1-hydroxyethyl]-3-phenylmethoxyoxolan-2-one
CID 139605652
(3R,4S)-4-(4-methoxyphenyl)-3-phenylmethoxyazetidin-2-one
CID 10379085
(3R,4R)-4-butyl-3-phenylmethoxyazetidin-2-one
CID 10353943
(3R,4S)-4-pentyl-3-phenylmethoxyazetidin-2-one
CID 10467157
2-[4-oxo-3-(1-phenylmethoxyethyl)azetidin-2-yl]propanoic acid
CID 19933355
(3R,6S)-3-(2-methylpropyl)-6-(phenylmethoxymethyl)piperazine-2,5-dione
CID 131931267
(3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(3-phenylpropyl)piperidin-2-one
CID 137394852
(2R,3S,5R,6S)-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-one
CID 45157418
(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
CID 44550895
(3S,4S)-4-(2-phenylethyl)-3-phenylmethoxyoxetan-2-one
CID 15395993

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one?
The IUPAC name of (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one (CID 11775681) is (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one.
What is the SMILES notation for (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one?
The canonical SMILES for (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one is CC(O)[C@@H]1NC(=O)[C@@H]1OCc1ccccc1.
What is the InChIKey of (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one?
The InChIKey is XHSADXAFIANCFV-JCBFREDQSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)10-11(12(15)13-10)16-7-9-5-3-2-4-6-9/h2-6,8,10-11,14H,7H2,1H3,(H,13,15)/t8?,10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one?
(3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one has a molecular weight of 221.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-hydroxyethyl)-3-phenylmethoxyazetidin-2-one is sourced from PubChem (CID 11775681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).