ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate

C11H18N2O4 — CID 82776514

IUPACethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ccn(CC)c1=O
InChIInChI=1S/C11H18N2O4/c1-3-12-5-6-13(11(12)16)8-9(14)7-10(15)17-4-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyUYURAPARAYJONU-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.02
Rot. Bonds6

About ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate

ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate (PubChem CID 82776514) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
PubChem CID82776514
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nameethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)Cn1ccn(CC)c1=O
InChIInChI=1S/C11H18N2O4/c1-3-12-5-6-13(11(12)16)8-9(14)7-10(15)17-4-2/h5-6,9,14H,3-4,7-8H2,1-2H3
InChIKeyUYURAPARAYJONU-UHFFFAOYSA-N
XLogP-0.02
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoic acid
CID 82776513
ethyl 3-hydroxy-4-(3-methyl-2-oxo-1-pyridinyl)butanoate
CID 82777530
ethyl 3-hydroxy-4-(1-oxoisoquinolin-2-yl)butanoate
CID 82777279
ethyl 4-(5-bromo-2-oxo-1-pyridinyl)-3-hydroxybutanoate
CID 82777495
ethyl 4-(4-ethyl-2,5-dioxopiperazin-1-yl)-3-hydroxybutanoate
CID 82778065
ethyl 3-hydroxy-4-(6-methylindol-1-yl)butanoate
CID 82777232
1-ethyl-3-[2-hydroxy-3-(propan-2-ylamino)propyl]imidazol-2-one
CID 80581874
ethyl 4-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)-3-hydroxybutanoate
CID 82771268
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
1-ethyl-3-[2-hydroxy-3-(2-methylpropylamino)propyl]imidazol-2-one
CID 113317741
ethyl 4-(5-ethoxyindol-1-yl)-3-hydroxybutanoate
CID 82771296
ethyl 4-(5,6-dimethylbenzimidazol-1-yl)-3-hydroxybutanoate
CID 82775981

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate (CID 82776514) is ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate is CCOC(=O)CC(O)Cn1ccn(CC)c1=O.
What is the InChIKey of ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
The InChIKey is UYURAPARAYJONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-3-12-5-6-13(11(12)16)8-9(14)7-10(15)17-4-2/h5-6,9,14H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate?
ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate has a molecular weight of 242.27 g/mol, XLogP of -0.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethyl-2-oxoimidazol-1-yl)-3-hydroxybutanoate is sourced from PubChem (CID 82776514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).