ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride

C10H16ClN3O4 — CID 44522525

IUPACethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)Cc1nc(N)c(C(=O)OCC)[nH]1.Cl
InChIInChI=1S/C10H15N3O4.ClH/c1-3-16-7(14)5-6-12-8(9(11)13-6)10(15)17-4-2;/h3-5,11H2,1-2H3,(H,12,13);1H
InChIKeyITARDOMOVKZEIU-UHFFFAOYSA-N
MW277.71 g/mol
LogP0.70
Rot. Bonds5

About ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride

ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride (PubChem CID 44522525) has the molecular formula C10H16ClN3O4 and a molecular weight of 277.71 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride
PubChem CID44522525
Molecular FormulaC10H16ClN3O4
Molecular Weight277.71 g/mol
Exact Mass277.08
IUPAC Nameethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride
SMILESCCOC(=O)Cc1nc(N)c(C(=O)OCC)[nH]1.Cl
InChIInChI=1S/C10H15N3O4.ClH/c1-3-16-7(14)5-6-12-8(9(11)13-6)10(15)17-4-2;/h3-5,11H2,1-2H3,(H,12,13);1H
InChIKeyITARDOMOVKZEIU-UHFFFAOYSA-N
XLogP0.70
TPSA107.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride (CID 44522525) is ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride is CCOC(=O)Cc1nc(N)c(C(=O)OCC)[nH]1.Cl.
What is the InChIKey of ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride?
The InChIKey is ITARDOMOVKZEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4.ClH/c1-3-16-7(14)5-6-12-8(9(11)13-6)10(15)17-4-2;/h3-5,11H2,1-2H3,(H,12,13);1H.
What are the key properties of ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride?
ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride has a molecular weight of 277.71 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-ethoxy-2-oxoethyl)-1H-imidazole-5-carboxylate;hydrochloride is sourced from PubChem (CID 44522525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).