[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate

C11H11NO3 — CID 10198157

IUPAC[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-7(13)15-10-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyYTBSMLRVFPHDOB-VHSXEESVSA-N
MW205.21 g/mol
LogP0.79
Rot. Bonds2

About [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate

[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate (PubChem CID 10198157) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate.

Molecular Properties

Compound Name[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate
PubChem CID10198157
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate
SMILESCC(=O)O[C@H]1C(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-7(13)15-10-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,12,14)/t9-,10+/m0/s1
InChIKeyYTBSMLRVFPHDOB-VHSXEESVSA-N
XLogP0.79
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate?
The IUPAC name of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate (CID 10198157) is [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate.
What is the SMILES notation for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate?
The canonical SMILES for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate is CC(=O)O[C@H]1C(=O)N[C@H]1c1ccccc1.
What is the InChIKey of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate?
The InChIKey is YTBSMLRVFPHDOB-VHSXEESVSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)15-10-9(12-11(10)14)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,12,14)/t9-,10+/m0/s1.
What are the key properties of [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate?
[(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate has a molecular weight of 205.21 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-2-oxo-4-phenylazetidin-3-yl] acetate is sourced from PubChem (CID 10198157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).