methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate

C12H20N4O3 — CID 103544811

IUPACmethyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(=O)NC(C)C
InChIInChI=1S/C12H20N4O3/c1-5-8-15-10(12(18)19-4)11(13)16(8)6-9(17)14-7(2)3/h7H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyBKNOAPJUHPMKEI-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.34
Rot. Bonds5

About methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate

methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate (PubChem CID 103544811) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
PubChem CID103544811
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Namemethyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OC)c(N)n1CC(=O)NC(C)C
InChIInChI=1S/C12H20N4O3/c1-5-8-15-10(12(18)19-4)11(13)16(8)6-9(17)14-7(2)3/h7H,5-6,13H2,1-4H3,(H,14,17)
InChIKeyBKNOAPJUHPMKEI-UHFFFAOYSA-N
XLogP0.34
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-2-ethyl-1-[2-(2-methoxyethylamino)-2-oxoethyl]imidazole-4-carboxylate
CID 103545998
methyl 5-amino-2-ethyl-1-(3-methylsulfanylbutyl)imidazole-4-carboxylate
CID 103546188
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-(2,2,3,3-tetrafluoropropyl)imidazole-4-carboxylate
CID 106294832
methyl 5-amino-2-ethyl-1-(2-methylsulfinylethyl)imidazole-4-carboxylate
CID 103546145
ethyl 5-amino-2-ethyl-1-(2-methoxypropyl)imidazole-4-carboxylate
CID 102700414
methyl 5-amino-2-ethyl-1-[(2-ethylphenyl)methyl]imidazole-4-carboxylate
CID 103545625
methyl 5-amino-1-[[1-(dimethylamino)cyclobutyl]methyl]-2-ethylimidazole-4-carboxylate
CID 103546304
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-2-ethyl-1-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxylate
CID 103546091
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-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate (CID 103544811) is methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate is CCc1nc(C(=O)OC)c(N)n1CC(=O)NC(C)C.
What is the InChIKey of methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate?
The InChIKey is BKNOAPJUHPMKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-5-8-15-10(12(18)19-4)11(13)16(8)6-9(17)14-7(2)3/h7H,5-6,13H2,1-4H3,(H,14,17).
What are the key properties of methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate?
methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 0.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-ethyl-1-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 103544811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).