ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate

C11H20N4O2 — CID 82950243

IUPACethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C(C)CN(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-5-17-11(16)9-10(12)15(7-13-9)8(2)6-14(3)4/h7-8H,5-6,12H2,1-4H3
InChIKeySCZFYODPPAEXSH-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.76
Rot. Bonds5

About ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate

ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate (PubChem CID 82950243) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
PubChem CID82950243
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Nameethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate
SMILESCCOC(=O)c1ncn(C(C)CN(C)C)c1N
InChIInChI=1S/C11H20N4O2/c1-5-17-11(16)9-10(12)15(7-13-9)8(2)6-14(3)4/h7-8H,5-6,12H2,1-4H3
InChIKeySCZFYODPPAEXSH-UHFFFAOYSA-N
XLogP0.76
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-(3,3-dimethylbutan-2-yl)imidazole-4-carboxylate
CID 113458027
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
CID 82950242
ethyl 5-amino-1-[2-[methyl(propan-2-yl)amino]ethyl]imidazole-4-carboxylate
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ethyl 1-(2-acetyloxynonan-3-yl)-5-aminoimidazole-4-carboxylate
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methyl 5-amino-1-(1-methylsulfinylpropan-2-yl)imidazole-4-carboxylate
CID 103546168
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
ethyl 5-amino-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 113494231
ethyl 5-amino-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 53418332
methyl 5-amino-1-[1-(dimethylamino)propan-2-yl]-2-methylimidazole-4-carboxylate
CID 103545930
ethyl 5-amino-1-[(1-methylpyrazol-3-yl)methyl]imidazole-4-carboxylate
CID 82874465
ethyl 5-amino-1-(4-methylpiperazin-1-yl)imidazole-4-carboxylate
CID 83023244

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate (CID 82950243) is ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate is CCOC(=O)c1ncn(C(C)CN(C)C)c1N.
What is the InChIKey of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate?
The InChIKey is SCZFYODPPAEXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-5-17-11(16)9-10(12)15(7-13-9)8(2)6-14(3)4/h7-8H,5-6,12H2,1-4H3.
What are the key properties of ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate?
ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate has a molecular weight of 240.31 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[1-(dimethylamino)propan-2-yl]imidazole-4-carboxylate is sourced from PubChem (CID 82950243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).