(4-oxo-3-phenylazetidin-2-yl) acetate

C11H11NO3 — CID 18318993

IUPAC(4-oxo-3-phenylazetidin-2-yl) acetate
SMILESCC(=O)OC1NC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-7(13)15-11-9(10(14)12-11)8-5-3-2-4-6-8/h2-6,9,11H,1H3,(H,12,14)
InChIKeyLFBURTLEXIVITO-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.79
Rot. Bonds2

About (4-oxo-3-phenylazetidin-2-yl) acetate

(4-oxo-3-phenylazetidin-2-yl) acetate (PubChem CID 18318993) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4-oxo-3-phenylazetidin-2-yl) acetate.

Molecular Properties

Compound Name(4-oxo-3-phenylazetidin-2-yl) acetate
PubChem CID18318993
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4-oxo-3-phenylazetidin-2-yl) acetate
SMILESCC(=O)OC1NC(=O)C1c1ccccc1
InChIInChI=1S/C11H11NO3/c1-7(13)15-11-9(10(14)12-11)8-5-3-2-4-6-8/h2-6,9,11H,1H3,(H,12,14)
InChIKeyLFBURTLEXIVITO-UHFFFAOYSA-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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Related Compounds

[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
CID 11821934
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[3-[(2-methoxy-2-phenylacetyl)amino]-4-oxoazetidin-2-yl] acetate
CID 57180808
(4,4-difluoro-3-phenylpyrrolidin-2-yl) acetate
CID 123223931
acetic acid;(1R,2S,9S,10R)-17,19-diazapentacyclo[8.6.2.22,9.03,8.011,16]icosa-3,5,7,11,13,15-hexaene-18,20-dione
CID 139195740
[(1R,2R,3R,6R)-2-hydroxy-3,6-diphenylcyclohexyl] acetate
CID 38361315
[(2R,3R)-4-oxo-3-[(1R)-1-silyloxyethyl]azetidin-2-yl] acetate
CID 173351934
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
[(3R,4R)-4-phenylpiperidin-3-yl] acetate
CID 59674879
(5-phenyloxolan-2-yl) acetate
CID 121009133
benzyl 3-[(2-acetyloxy-4-oxoazetidin-3-yl)amino]-3-oxo-2-phenylpropanoate
CID 67719105
[4-(3-methylphenyl)-6-oxo-3-pyridin-4-yl-2,3-dihydro-1H-pyridin-2-yl] acetate
CID 21266451

Frequently Asked Questions

What is the IUPAC name of (4-oxo-3-phenylazetidin-2-yl) acetate?
The IUPAC name of (4-oxo-3-phenylazetidin-2-yl) acetate (CID 18318993) is (4-oxo-3-phenylazetidin-2-yl) acetate.
What is the SMILES notation for (4-oxo-3-phenylazetidin-2-yl) acetate?
The canonical SMILES for (4-oxo-3-phenylazetidin-2-yl) acetate is CC(=O)OC1NC(=O)C1c1ccccc1.
What is the InChIKey of (4-oxo-3-phenylazetidin-2-yl) acetate?
The InChIKey is LFBURTLEXIVITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)15-11-9(10(14)12-11)8-5-3-2-4-6-8/h2-6,9,11H,1H3,(H,12,14).
What are the key properties of (4-oxo-3-phenylazetidin-2-yl) acetate?
(4-oxo-3-phenylazetidin-2-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 (4-oxo-3-phenylazetidin-2-yl) acetate is sourced from PubChem (CID 18318993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).