[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate

C20H19NO6 — CID 10915607

IUPAC[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
SMILESC[C@@H](O)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19NO6/c1-13(22)16-17(23)21(12-26-19(24)14-8-4-2-5-9-14)18(16)27-20(25)15-10-6-3-7-11-15/h2-11,13,16,18,22H,12H2,1H3/t13-,16+,18-/m1/s1
InChIKeyIBPNFBPGXOJOFQ-RPVQJOFSSA-N
MW369.37 g/mol
LogP1.82
Rot. Bonds6

About [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate

[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate (PubChem CID 10915607) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate.

Molecular Properties

Compound Name[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
PubChem CID10915607
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate
SMILESC[C@@H](O)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1
InChIInChI=1S/C20H19NO6/c1-13(22)16-17(23)21(12-26-19(24)14-8-4-2-5-9-14)18(16)27-20(25)15-10-6-3-7-11-15/h2-11,13,16,18,22H,12H2,1H3/t13-,16+,18-/m1/s1
InChIKeyIBPNFBPGXOJOFQ-RPVQJOFSSA-N
XLogP1.82
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The IUPAC name of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate (CID 10915607) is [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate.
What is the SMILES notation for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The canonical SMILES for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate is C[C@@H](O)[C@H]1C(=O)N(COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1.
What is the InChIKey of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
The InChIKey is IBPNFBPGXOJOFQ-RPVQJOFSSA-N. The full InChI is InChI=1S/C20H19NO6/c1-13(22)16-17(23)21(12-26-19(24)14-8-4-2-5-9-14)18(16)27-20(25)15-10-6-3-7-11-15/h2-11,13,16,18,22H,12H2,1H3/t13-,16+,18-/m1/s1.
What are the key properties of [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate?
[(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate has a molecular weight of 369.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-benzoyloxy-3-[(1R)-1-hydroxyethyl]-4-oxoazetidin-1-yl]methyl benzoate is sourced from PubChem (CID 10915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).