methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate

C6H9N3O3 — CID 79959514

IUPACmethyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1C
InChIInChI=1S/C6H9N3O3/c1-9-3(5(10)12-2)4(7)8-6(9)11/h3H,1-2H3,(H2,7,8,11)
InChIKeyPBFHCQZQNACYNW-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.05
Rot. Bonds1

About methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate

methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate (PubChem CID 79959514) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate
PubChem CID79959514
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Namemethyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1C
InChIInChI=1S/C6H9N3O3/c1-9-3(5(10)12-2)4(7)8-6(9)11/h3H,1-2H3,(H2,7,8,11)
InChIKeyPBFHCQZQNACYNW-UHFFFAOYSA-N
XLogP-1.05
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate (CID 79959514) is methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate is COC(=O)C1C(N)=NC(=O)N1C.
What is the InChIKey of methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate?
The InChIKey is PBFHCQZQNACYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-9-3(5(10)12-2)4(7)8-6(9)11/h3H,1-2H3,(H2,7,8,11).
What are the key properties of methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate?
methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate has a molecular weight of 171.16 g/mol, XLogP of -1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-methyl-2-oxo-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79959514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).