ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate

C8H12N2O3 — CID 156703969

IUPACethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
SMILESCCOC(=O)c1c(O)ncn1CC
InChIInChI=1S/C8H12N2O3/c1-3-10-5-9-7(11)6(10)8(12)13-4-2/h5,11H,3-4H2,1-2H3
InChIKeyIXOOBRAUUFOJQP-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.79
Rot. Bonds3

About ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate

ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate (PubChem CID 156703969) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
PubChem CID156703969
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate
SMILESCCOC(=O)c1c(O)ncn1CC
InChIInChI=1S/C8H12N2O3/c1-3-10-5-9-7(11)6(10)8(12)13-4-2/h5,11H,3-4H2,1-2H3
InChIKeyIXOOBRAUUFOJQP-UHFFFAOYSA-N
XLogP0.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(2-methoxy-2-oxoethyl)-5-methylimidazole-4-carboxylate
CID 101483745
ethyl 4-ethyl-1,2,4-triazole-3-carboxylate
CID 63356190
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
methyl 3-ethyl-5-formylimidazole-4-carboxylate
CID 172593322
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
ethyl 3-ethyl-5-[(4-methyl-3-phenyl-1,3-thiazol-2-ylidene)amino]imidazole-4-carboxylate
CID 4873549
ethyl 3-tert-butyl-5-chloroimidazole-4-carboxylate
CID 146377817
ethyl 1-(4-methylphenyl)-1,2,4-triazole-3-carboxylate
CID 71304242
ethyl 5-hydroxy-1-[2-(4-methoxycarbonylphenoxy)ethyl]imidazole-4-carboxylate
CID 135923786
ethyl 5-methyl-1-prop-2-enylimidazole-4-carboxylate
CID 11550156
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
1-(3-ethyl-5-methylimidazol-4-yl)-2-(methylamino)ethanone
CID 82408247

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate (CID 156703969) is ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate is CCOC(=O)c1c(O)ncn1CC.
What is the InChIKey of ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate?
The InChIKey is IXOOBRAUUFOJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-10-5-9-7(11)6(10)8(12)13-4-2/h5,11H,3-4H2,1-2H3.
What are the key properties of ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate?
ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-5-hydroxyimidazole-4-carboxylate is sourced from PubChem (CID 156703969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).