(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

C25H28N2O6 — CID 10551596

IUPAC(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
SMILESCC1(C)O[C@@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C25H28N2O6/c1-25(2)32-21(17-19(28)23(30)26(17)13-15-9-5-3-6-10-15)22(33-25)18-20(29)24(31)27(18)14-16-11-7-4-8-12-16/h3-12,17-22,28-29H,13-14H2,1-2H3/t17-,18-,19-,20-,21+,22+/m1/s1
InChIKeyLVEQTIXTZUOVHP-VXAPCQRLSA-N
MW452.51 g/mol
LogP1.05
Rot. Bonds6

About (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

(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 (PubChem CID 10551596) has the molecular formula C25H28N2O6 and a molecular weight of 452.51 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID10551596
Molecular FormulaC25H28N2O6
Molecular Weight452.51 g/mol
Exact Mass452.19
IUPAC Name(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
SMILESCC1(C)O[C@@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C25H28N2O6/c1-25(2)32-21(17-19(28)23(30)26(17)13-15-9-5-3-6-10-15)22(33-25)18-20(29)24(31)27(18)14-16-11-7-4-8-12-16/h3-12,17-22,28-29H,13-14H2,1-2H3/t17-,18-,19-,20-,21+,22+/m1/s1
InChIKeyLVEQTIXTZUOVHP-VXAPCQRLSA-N
XLogP1.05
TPSA99.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC1(C)O[C@@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (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?
The InChIKey is LVEQTIXTZUOVHP-VXAPCQRLSA-N. The full InChI is InChI=1S/C25H28N2O6/c1-25(2)32-21(17-19(28)23(30)26(17)13-15-9-5-3-6-10-15)22(33-25)18-20(29)24(31)27(18)14-16-11-7-4-8-12-16/h3-12,17-22,28-29H,13-14H2,1-2H3/t17-,18-,19-,20-,21+,22+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 452.51 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 10551596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).