methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate

C10H16N4O4 — CID 114162703

IUPACmethyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCOCC(N)=O)c1N
InChIInChI=1S/C10H16N4O4/c1-6-13-8(10(16)17-2)9(12)14(6)3-4-18-5-7(11)15/h3-5,12H2,1-2H3,(H2,11,15)
InChIKeyMUAXQNGIECWQOW-UHFFFAOYSA-N
MW256.26 g/mol
LogP-0.94
Rot. Bonds6

About methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate

methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate (PubChem CID 114162703) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
PubChem CID114162703
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Namemethyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate
SMILESCOC(=O)c1nc(C)n(CCOCC(N)=O)c1N
InChIInChI=1S/C10H16N4O4/c1-6-13-8(10(16)17-2)9(12)14(6)3-4-18-5-7(11)15/h3-5,12H2,1-2H3,(H2,11,15)
InChIKeyMUAXQNGIECWQOW-UHFFFAOYSA-N
XLogP-0.94
TPSA122.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-0.94
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-1-(2-amino-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544391
methyl 5-amino-2-methyl-1-(2-methylsulfanylethyl)imidazole-4-carboxylate
CID 103545530
methyl 5-amino-2-methyl-1-[(E)-pent-3-enyl]imidazole-4-carboxylate
CID 103546104
methyl 5-amino-1-[3-(ethylamino)-3-oxopropyl]-2-methylimidazole-4-carboxylate
CID 103546031
methyl 5-amino-1-[3-(methanesulfonamido)propyl]-2-methylimidazole-4-carboxylate
CID 106338365
methyl 5-amino-1-(2-ethoxy-2-oxoethyl)-2-methylimidazole-4-carboxylate
CID 103544847
methyl 5-amino-2-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazole-4-carboxylate
CID 103545822
methyl 5-amino-1-(3-butoxypropyl)-2-ethylimidazole-4-carboxylate
CID 103546153
methyl 5-amino-1-[2-(5-bromothiophen-2-yl)ethyl]-2-methylimidazole-4-carboxylate
CID 106039173
methyl 5-amino-2-methyl-1-[(1-methylimidazol-2-yl)methyl]imidazole-4-carboxylate
CID 103545463
methyl 2-[2-(2-amino-2-oxoethoxy)ethylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 106241502
methyl 5-amino-1-(4-amino-4-oxobutyl)-2-ethylimidazole-4-carboxylate
CID 103544856

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate (CID 114162703) is methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate is COC(=O)c1nc(C)n(CCOCC(N)=O)c1N.
What is the InChIKey of methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate?
The InChIKey is MUAXQNGIECWQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-6-13-8(10(16)17-2)9(12)14(6)3-4-18-5-7(11)15/h3-5,12H2,1-2H3,(H2,11,15).
What are the key properties of methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate?
methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate has a molecular weight of 256.26 g/mol, XLogP of -0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-[2-(2-amino-2-oxoethoxy)ethyl]-2-methylimidazole-4-carboxylate is sourced from PubChem (CID 114162703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).