[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate

C14H17NO3 — CID 23243967

IUPAC[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)15(14(10)17)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyFMCVKZRCCMDREV-ZWNOBZJWSA-N
MW247.29 g/mol
LogP1.60
Rot. Bonds4

About [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate

[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate (PubChem CID 23243967) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate
PubChem CID23243967
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate
SMILESCC(=O)OC[C@@H]1[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)15(14(10)17)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1
InChIKeyFMCVKZRCCMDREV-ZWNOBZJWSA-N
XLogP1.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate?
The IUPAC name of [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate (CID 23243967) is [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate.
What is the SMILES notation for [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate?
The canonical SMILES for [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate is CC(=O)OC[C@@H]1[C@@H](C)C(=O)N1Cc1ccccc1.
What is the InChIKey of [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate?
The InChIKey is FMCVKZRCCMDREV-ZWNOBZJWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-13(9-18-11(2)16)15(14(10)17)8-12-6-4-3-5-7-12/h3-7,10,13H,8-9H2,1-2H3/t10-,13-/m1/s1.
What are the key properties of [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate?
[(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate has a molecular weight of 247.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-1-benzyl-3-methyl-4-oxoazetidin-2-yl]methyl acetate is sourced from PubChem (CID 23243967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).