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

C13H14N2O5 — CID 13124492

IUPAC[(2R,3R)-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+/m0/s1
InChIKeyUIXSASZBPZYESC-CMPLNLGQSA-N
MW278.26 g/mol
LogP0.30
Rot. Bonds4

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

[(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (PubChem CID 13124492) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.

Molecular Properties

Compound Name[(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate
PubChem CID13124492
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Name[(2R,3R)-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+/m0/s1
InChIKeyUIXSASZBPZYESC-CMPLNLGQSA-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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Related Compounds

N-carbobenzyloxyalanine
CID 736104
Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate
CID 697922
N-Cbz-d-alanine
CID 70832
N-Carbobenzyloxy-D-serine-beta-lactone
CID 489183
Carbobenzoxyglycylglycine
CID 95686
benzyl N-(2-oxooxolan-3-yl)carbamate
CID 301122
L-Serine, N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-
CID 90234
Methyl 3-methyl-2-[2-(phenylmethoxycarbonylamino)propanoylamino]butanoate
CID 294932
Methyl 2-(2-{[(benzyloxy)carbonyl]amino}-3-methylbutanamido)acetate
CID 4432220
Methyl 2-(2-(((benzyloxy)carbonyl)amino)acetamido)acetate
CID 297850
Benzyl (tert-butoxycarbonyl)glycylglycinate
CID 3244524
N-((Phenylmethoxy)carbonyl)glycine ethyl ester
CID 14366

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The IUPAC name of [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate (CID 13124492) is [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate.
What is the SMILES notation for [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The canonical SMILES for [(2R,3R)-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 [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
The InChIKey is UIXSASZBPZYESC-CMPLNLGQSA-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+/m0/s1.
What are the key properties of [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate?
[(2R,3R)-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 [(2R,3R)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-2-yl] acetate is sourced from PubChem (CID 13124492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).