methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate

C9H13N3O3 — CID 65173047

IUPACmethyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCNC(=O)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C9H13N3O3/c1-6-11-4-7(9(14)15-3)12(6)5-8(13)10-2/h4H,5H2,1-3H3,(H,10,13)
InChIKeyTYBSWIWRTGMEBK-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.28
Rot. Bonds3

About methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate

methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate (PubChem CID 65173047) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
PubChem CID65173047
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate
SMILESCNC(=O)Cn1c(C(=O)OC)cnc1C
InChIInChI=1S/C9H13N3O3/c1-6-11-4-7(9(14)15-3)12(6)5-8(13)10-2/h4H,5H2,1-3H3,(H,10,13)
InChIKeyTYBSWIWRTGMEBK-UHFFFAOYSA-N
XLogP-0.28
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate (CID 65173047) is methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate is CNC(=O)Cn1c(C(=O)OC)cnc1C.
What is the InChIKey of methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate?
The InChIKey is TYBSWIWRTGMEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-11-4-7(9(14)15-3)12(6)5-8(13)10-2/h4H,5H2,1-3H3,(H,10,13).
What are the key properties of methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate?
methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-(methylamino)-2-oxoethyl]imidazole-4-carboxylate is sourced from PubChem (CID 65173047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).