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

C13H14N2O5 — CID 13124491

IUPAC[(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=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)/t10-,12+/m1/s1
InChIKeyUIXSASZBPZYESC-PWSUYJOCSA-N
MW278.26 g/mol
LogP0.30
Rot. Bonds4

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

[(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (PubChem CID 13124491) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
PubChem CID13124491
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
SMILESCC(=O)O[C@@H]1NC(=O)[C@H]1NC(=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)/t10-,12+/m1/s1
InChIKeyUIXSASZBPZYESC-PWSUYJOCSA-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 [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The IUPAC name of [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (CID 13124491) is [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.
What is the SMILES notation for [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The canonical SMILES for [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate is CC(=O)O[C@@H]1NC(=O)[C@H]1NC(=O)OCc1ccccc1.
What is the InChIKey of [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The InChIKey is UIXSASZBPZYESC-PWSUYJOCSA-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)/t10-,12+/m1/s1.
What are the key properties of [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
[(2S,3S)-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 [(2S,3S)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate is sourced from PubChem (CID 13124491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).