[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate

C13H14N2O5 — CID 11821934

IUPAC[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-8(16)20-13-11(12(18)15-13)14-10(17)7-19-9-5-3-2-4-6-9/h2-6,11,13H,7H2,1H3,(H,14,17)(H,15,18)/t11-,13+/m1/s1
InChIKeyJOSXTSZPEJSZFT-YPMHNXCESA-N
MW278.26 g/mol
LogP-0.43
Rot. Bonds5

About [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate

[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate (PubChem CID 11821934) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
PubChem CID11821934
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-8(16)20-13-11(12(18)15-13)14-10(17)7-19-9-5-3-2-4-6-9/h2-6,11,13H,7H2,1H3,(H,14,17)(H,15,18)/t11-,13+/m1/s1
InChIKeyJOSXTSZPEJSZFT-YPMHNXCESA-N
XLogP-0.43
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-2-oxo-4-[(E)-2-phenylethenyl]azetidin-3-yl]-2-phenoxyacetamide
CID 70574394
N-[(2S,3S)-2-(1-methoxyethyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 67744007
N-[(3S,4S)-2-oxo-4-(tritylsulfanylmethyl)azetidin-3-yl]-2-phenoxyacetamide
CID 54478307
N-(4-oxocyclohexyl)-2-phenoxyacetamide
CID 43652791
(4-oxo-3-phenylazetidin-2-yl) acetate
CID 18318993
N-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]-2-phenoxyacetamide
CID 11162770
N-(oxan-4-yl)-2-phenoxyacetamide
CID 61062946
N-[(2R,3R)-2-(2-bicyclo[2.2.1]heptanylsulfonyl)-4-oxoazetidin-3-yl]-2-phenoxyacetamide
CID 70465563
N-(5-methylpyrazolidin-3-yl)-2-phenoxyacetamide
CID 75266971
N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-2-phenoxyacetamide
CID 110164138
N-(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-yl)-2-phenoxyacetamide
CID 78199659
N-(6-methyloxan-3-yl)-2-phenoxyacetamide
CID 155627872

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate (CID 11821934) is [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate is CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)COc1ccccc1.
What is the InChIKey of [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate?
The InChIKey is JOSXTSZPEJSZFT-YPMHNXCESA-N. The full InChI is InChI=1S/C13H14N2O5/c1-8(16)20-13-11(12(18)15-13)14-10(17)7-19-9-5-3-2-4-6-9/h2-6,11,13H,7H2,1H3,(H,14,17)(H,15,18)/t11-,13+/m1/s1.
What are the key properties of [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate?
[(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate has a molecular weight of 278.26 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-2-yl] acetate is sourced from PubChem (CID 11821934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).