methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate

C5H7N3O3 — CID 79962292

IUPACmethyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1NC(=O)N=C1N
InChIInChI=1S/C5H7N3O3/c1-11-4(9)2-3(6)8-5(10)7-2/h2H,1H3,(H3,6,7,8,10)
InChIKeyWNXWLGRWPUDZBS-UHFFFAOYSA-N
MW157.13 g/mol
LogP-1.39
Rot. Bonds1

About methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate

methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate (PubChem CID 79962292) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate
PubChem CID79962292
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Namemethyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1NC(=O)N=C1N
InChIInChI=1S/C5H7N3O3/c1-11-4(9)2-3(6)8-5(10)7-2/h2H,1H3,(H3,6,7,8,10)
InChIKeyWNXWLGRWPUDZBS-UHFFFAOYSA-N
XLogP-1.39
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-1.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-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 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate (CID 79962292) is methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate is COC(=O)C1NC(=O)N=C1N.
What is the InChIKey of methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate?
The InChIKey is WNXWLGRWPUDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-11-4(9)2-3(6)8-5(10)7-2/h2H,1H3,(H3,6,7,8,10).
What are the key properties of methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate?
methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate has a molecular weight of 157.13 g/mol, XLogP of -1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2-oxo-1,5-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 79962292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).