methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate

C12H20N4O4 — CID 103545998

IUPACmethyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(=O)NCCOC
InChIInChI=1S/C12H20N4O4/c1-4-8-15-10(12(18)20-3)11(13)16(8)7-9(17)14-5-6-19-2/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyLTNBAFAKPPVEOC-UHFFFAOYSA-N
MW284.32 g/mol
LogP-0.42
Rot. Bonds7

About methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate (PubChem CID 103545998) has the molecular formula C12H20N4O4 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
PubChem CID103545998
Molecular FormulaC12H20N4O4
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Namemethyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(=O)NCCOC
InChIInChI=1S/C12H20N4O4/c1-4-8-15-10(12(18)20-3)11(13)16(8)7-9(17)14-5-6-19-2/h4-7,13H2,1-3H3,(H,14,17)
InChIKeyLTNBAFAKPPVEOC-UHFFFAOYSA-N
XLogP-0.42
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
CID 103544811
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
methyl 5-amino-2-ethyl-1-(2,2,2-trifluoroethyl)imidazole-4-carboxylate
CID 103544613
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethylimidazole-4-carboxylate
CID 106376263
methyl 5-amino-2-ethyl-1-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
methyl 5-amino-2-ethyl-1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]imidazole-4-carboxylate
CID 106302530
methyl 5-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethylimidazole-4-carboxylate
CID 103546304
methyl 5-amino-2-ethyl-1-[(2-methylcyclopentyl)methyl]imidazole-4-carboxylate
CID 107420468

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate (CID 103545998) is methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CC(=O)NCCOC.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate?
The InChIKey is LTNBAFAKPPVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4/c1-4-8-15-10(12(18)20-3)11(13)16(8)7-9(17)14-5-6-19-2/h4-7,13H2,1-3H3,(H,14,17).
What are the key properties of methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate has a molecular weight of 284.32 g/mol, XLogP of -0.42, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103545998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).