(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one

C15H19NO4 — CID 10912813

IUPAC(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(17)14(18)16(12)8-10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyQZLCJHUALXYYJD-FRRDWIJNSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds3

About (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one

(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one (PubChem CID 10912813) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
PubChem CID10912813
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
SMILESCC1(C)OC[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1
InChIInChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(17)14(18)16(12)8-10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3/t11-,12+,13-/m1/s1
InChIKeyQZLCJHUALXYYJD-FRRDWIJNSA-N
XLogP0.91
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one (CID 10912813) is (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one is CC1(C)OC[C@H]([C@H]2[C@@H](O)C(=O)N2Cc2ccccc2)O1.
What is the InChIKey of (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one?
The InChIKey is QZLCJHUALXYYJD-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2)19-9-11(20-15)12-13(17)14(18)16(12)8-10-6-4-3-5-7-10/h3-7,11-13,17H,8-9H2,1-2H3/t11-,12+,13-/m1/s1.
What are the key properties of (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one?
(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one is sourced from PubChem (CID 10912813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).