[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate

C11H14N2O7 — CID 746536

IUPAC[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O
InChIInChI=1S/C11H14N2O7/c1-5(14)12-9(19-7(3)16)10(20-8(4)17)13(6(2)15)11(12)18/h9-10H,1-4H3/t9-,10+
InChIKeyYFVKOCQCCWOKII-AOOOYVTPSA-N
MW286.24 g/mol
LogP-0.40
Rot. Bonds2

About [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate

[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate (PubChem CID 746536) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate
PubChem CID746536
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate
SMILESCC(=O)O[C@@H]1[C@H](OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O
InChIInChI=1S/C11H14N2O7/c1-5(14)12-9(19-7(3)16)10(20-8(4)17)13(6(2)15)11(12)18/h9-10H,1-4H3/t9-,10+
InChIKeyYFVKOCQCCWOKII-AOOOYVTPSA-N
XLogP-0.40
TPSA110.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate?
The IUPAC name of [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate (CID 746536) is [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate.
What is the SMILES notation for [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate?
The canonical SMILES for [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate is CC(=O)O[C@@H]1[C@H](OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O.
What is the InChIKey of [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate?
The InChIKey is YFVKOCQCCWOKII-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H14N2O7/c1-5(14)12-9(19-7(3)16)10(20-8(4)17)13(6(2)15)11(12)18/h9-10H,1-4H3/t9-,10+.
What are the key properties of [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate?
[(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate has a molecular weight of 286.24 g/mol, XLogP of -0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl] acetate is sourced from PubChem (CID 746536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).