(1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate

C11H14N2O7 — CID 652321

IUPAC(1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(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
InChIKeyYFVKOCQCCWOKII-UHFFFAOYSA-N
MW286.24 g/mol
LogP-0.40
Rot. Bonds2

About (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate

(1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate (PubChem CID 652321) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate.

Molecular Properties

Compound Name(1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate
PubChem CID652321
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name(1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate
SMILESCC(=O)OC1C(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
InChIKeyYFVKOCQCCWOKII-UHFFFAOYSA-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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Related Compounds

Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4,5-trioxoimidazolidin-1-yl]acetate
CID 90480645
5-Acetyloxy-1,3-dimethyl-2-oxoimidazolidin-4-yl acetate
CID 4282473
1,3-Diacetylimidazolidine-4,5-diyl diacetate
CID 5253296
1,3-Diethyl-2-oxoimidazolidine-4,5-diyl diacetate
CID 5113021
Methyl 2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 28825343
Methyl 1,3-diacetylimidazolidine-2-carboxylate
CID 102113005
Ethyl 2-(3-carbamoyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 155490233
Ethyl 2-fluoro-2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)acetate
CID 81297727
Ethyl 2-fluoro-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 81297876
(3-Acetyl-2-oxo-imidazolidin-1-yl)-acetic acid, methyl ester
CID 6421784
5-Acetyloxy-1,3-diformylimidazolidin-4-yl acetate
CID 3624057
Ethyl 1-methyl-2,4,5-trioxoimidazolidine-3-acetate
CID 15096135

Frequently Asked Questions

What is the IUPAC name of (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate?
The IUPAC name of (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate (CID 652321) is (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate.
What is the SMILES notation for (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate?
The canonical SMILES for (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate is CC(=O)OC1C(OC(C)=O)N(C(C)=O)C(=O)N1C(C)=O.
What is the InChIKey of (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate?
The InChIKey is YFVKOCQCCWOKII-UHFFFAOYSA-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.
What are the key properties of (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate?
(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 (1,3-diacetyl-5-acetyloxy-2-oxoimidazolidin-4-yl) acetate is sourced from PubChem (CID 652321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).