methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate

C9H13N3O3 — CID 103858595

IUPACmethyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cn(C)cn1
InChIInChI=1S/C9H13N3O3/c1-11-4-7(10-6-11)9(14)12(2)5-8(13)15-3/h4,6H,5H2,1-3H3
InChIKeyZTSZMZRMJOXWRY-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.33
Rot. Bonds3

About methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate

methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate (PubChem CID 103858595) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate
PubChem CID103858595
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cn(C)cn1
InChIInChI=1S/C9H13N3O3/c1-11-4-7(10-6-11)9(14)12(2)5-8(13)15-3/h4,6H,5H2,1-3H3
InChIKeyZTSZMZRMJOXWRY-UHFFFAOYSA-N
XLogP-0.33
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-methyl-1H-imidazole-5-carboxylate
CID 2736896
1,3-Dimethylimidazolium-4-carboxylate
CID 479951
1-methyl-1H-imidazole-5-carboxamide
CID 2736884
Methyl 1-methyl-1H-imidazole-4-carboxylate
CID 2773510
7-acetyl-N,N-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 97468765
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(3-methylimidazol-4-yl)methanone
CID 172434035
8-oxo-7H,8H-imidazo[1,5-a]pyrazine-5-carboxylic acid
CID 155820459
methyl 2-[(2-tert-butyl-1H-imidazole-4-carbonyl)amino]acetate
CID 3006279
N-butyl-N-methyl-5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 86771521
ethyl 1-(2-ethoxy-2-oxoethyl)-1H-imidazole-4-carboxylate
CID 91623495
1-[2-(morpholine-4-carbonyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 134789291
methyl 2-(methylcarbamoyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 134790482

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate (CID 103858595) is methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate is COC(=O)CN(C)C(=O)c1cn(C)cn1.
What is the InChIKey of methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate?
The InChIKey is ZTSZMZRMJOXWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-11-4-7(10-6-11)9(14)12(2)5-8(13)15-3/h4,6H,5H2,1-3H3.
What are the key properties of methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate?
methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of -0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(1-methylimidazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 103858595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).