(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one

C22H24N2O4 — CID 10643493

IUPAC(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](O)[C@@H]1[C@H]1[C@@H](O)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-13(15-9-5-3-6-10-15)23-17(19(25)21(23)27)18-20(26)22(28)24(18)14(2)16-11-7-4-8-12-16/h3-14,17-20,25-26H,1-2H3/t13-,14-,17-,18-,19+,20+/m0/s1
InChIKeyWGJJWBJVCOLBGE-LLTUXKBDSA-N
MW380.44 g/mol
LogP1.65
Rot. Bonds5

About (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one

(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one (PubChem CID 10643493) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
PubChem CID10643493
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
SMILESC[C@@H](c1ccccc1)N1C(=O)[C@H](O)[C@@H]1[C@H]1[C@@H](O)C(=O)N1[C@@H](C)c1ccccc1
InChIInChI=1S/C22H24N2O4/c1-13(15-9-5-3-6-10-15)23-17(19(25)21(23)27)18-20(26)22(28)24(18)14(2)16-11-7-4-8-12-16/h3-14,17-20,25-26H,1-2H3/t13-,14-,17-,18-,19+,20+/m0/s1
InChIKeyWGJJWBJVCOLBGE-LLTUXKBDSA-N
XLogP1.65
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one with MolForge

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Related Compounds

(3R,4S)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 12968361
Actinium;3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one
CID 20652034
(3R,4S)-3-hydroxy-4-phenyl-1-(1-phenylethyl)azetidin-2-one
CID 22878717
(3S,4R)-3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 71676048
(3R,4R)-1-benzyl-4-[(4S,5S)-5-[(2R,3R)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
CID 10551596
tert-butyl (2S)-2-[(2R,3S)-1-benzyl-3-hydroxy-4-oxoazetidin-2-yl]piperidine-1-carboxylate
CID 10594689
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
[(2S,3R)-2-[(2S,3R)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 10623998
[(2R,3S)-2-[(2R,3S)-3-acetyloxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-4-oxo-1-[(1S)-1-phenylethyl]azetidin-3-yl] acetate
CID 10671817
(3S,4R)-3-methoxy-4-[(2R,3S)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10787615
(3S,4R)-4-[(1R)-1,2-dihydroxyethyl]-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 10890358
(3S,4R)-4-benzyl-3-hydroxy-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 11055101

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The IUPAC name of (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one (CID 10643493) is (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one.
What is the SMILES notation for (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The canonical SMILES for (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one is C[C@@H](c1ccccc1)N1C(=O)[C@H](O)[C@@H]1[C@H]1[C@@H](O)C(=O)N1[C@@H](C)c1ccccc1.
What is the InChIKey of (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
The InChIKey is WGJJWBJVCOLBGE-LLTUXKBDSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13(15-9-5-3-6-10-15)23-17(19(25)21(23)27)18-20(26)22(28)24(18)14(2)16-11-7-4-8-12-16/h3-14,17-20,25-26H,1-2H3/t13-,14-,17-,18-,19+,20+/m0/s1.
What are the key properties of (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one?
(3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one has a molecular weight of 380.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-hydroxy-4-[(2S,3R)-3-hydroxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one is sourced from PubChem (CID 10643493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).