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

C11H18N2O5 — CID 759709

IUPAC[(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate
SMILESCCN1C(=O)N(CC)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3/t9-,10+
InChIKeyCMBOMSKDSWNIAR-AOOOYVTPSA-N
MW258.27 g/mol
LogP0.54
Rot. Bonds4

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

[(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate (PubChem CID 759709) has the molecular formula C11H18N2O5 and a molecular weight of 258.27 g/mol. Its IUPAC name is [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate.

Molecular Properties

Compound Name[(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate
PubChem CID759709
Molecular FormulaC11H18N2O5
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name[(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate
SMILESCCN1C(=O)N(CC)[C@@H](OC(C)=O)[C@H]1OC(C)=O
InChIInChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3/t9-,10+
InChIKeyCMBOMSKDSWNIAR-AOOOYVTPSA-N
XLogP0.54
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Acetic acid 5-acetoxy-1,3-diacetyl-2-oxo-imidazolidin-4-yl ester
CID 652321
2-Imidazolidinone, 4,5-dimethoxy-1,3-bis(methoxymethyl)-
CID 107270
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
5-Acetyloxy-1,3-diformylimidazolidin-4-yl acetate
CID 3624057
4,5-Dibutoxy-1,3-dimethylimidazolidin-2-one
CID 14836211
1-Butyl-4,5-diethoxy-3-propylimidazolidin-2-one
CID 14836213
1-Methyl-3-(2-acetoxyethyl)-2-imidazolidinone
CID 15746399
(5-Acetyloxy-1,3-diformylimidazolidin-4-yl) acetate;(1,3-diacetyl-5-acetyloxyimidazolidin-4-yl) acetate
CID 18997683
[5-Acetyloxy-1,3-bis(2-cyanoethyl)-2-oxoimidazolidin-4-yl] acetate
CID 20367087
1-Acetyl-4,5-dimethoxy-3-(methoxymethyl)imidazolidin-2-one
CID 20823505

Frequently Asked Questions

What is the IUPAC name of [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate?
The IUPAC name of [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate (CID 759709) is [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate.
What is the SMILES notation for [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate?
The canonical SMILES for [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate is CCN1C(=O)N(CC)[C@@H](OC(C)=O)[C@H]1OC(C)=O.
What is the InChIKey of [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate?
The InChIKey is CMBOMSKDSWNIAR-AOOOYVTPSA-N. The full InChI is InChI=1S/C11H18N2O5/c1-5-12-9(17-7(3)14)10(18-8(4)15)13(6-2)11(12)16/h9-10H,5-6H2,1-4H3/t9-,10+.
What are the key properties of [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate?
[(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate has a molecular weight of 258.27 g/mol, XLogP of 0.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5R)-5-acetyloxy-1,3-diethyl-2-oxoimidazolidin-4-yl] acetate is sourced from PubChem (CID 759709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).