[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate

C13H14N2O5 — CID 13124490

IUPAC[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-8(16)20-12-10(11(17)15-12)14-13(18)19-7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyUIXSASZBPZYESC-UHFFFAOYSA-N
MW278.26 g/mol
LogP0.30
Rot. Bonds4

About [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate

[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (PubChem CID 13124490) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.

Molecular Properties

Compound Name[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
PubChem CID13124490
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
SMILESCC(=O)OC1NC(=O)C1NC(=O)OCc1ccccc1
InChIInChI=1S/C13H14N2O5/c1-8(16)20-12-10(11(17)15-12)14-13(18)19-7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,14,18)(H,15,17)
InChIKeyUIXSASZBPZYESC-UHFFFAOYSA-N
XLogP0.30
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The IUPAC name of [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (CID 13124490) is [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.
What is the SMILES notation for [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The canonical SMILES for [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate is CC(=O)OC1NC(=O)C1NC(=O)OCc1ccccc1.
What is the InChIKey of [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The InChIKey is UIXSASZBPZYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-8(16)20-12-10(11(17)15-12)14-13(18)19-7-9-5-3-2-4-6-9/h2-6,10,12H,7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
[4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate has a molecular weight of 278.26 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate is sourced from PubChem (CID 13124490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).