methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate

C9H15N3O3 — CID 79960504

IUPACmethyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C9H15N3O3/c1-5(2)4-12-6(8(13)15-3)7(10)11-9(12)14/h5-6H,4H2,1-3H3,(H2,10,11,14)
InChIKeyQDANPBIXDMXGRB-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.02
Rot. Bonds3

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

methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate (PubChem CID 79960504) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
PubChem CID79960504
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Namemethyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1CC(C)C
InChIInChI=1S/C9H15N3O3/c1-5(2)4-12-6(8(13)15-3)7(10)11-9(12)14/h5-6H,4H2,1-3H3,(H2,10,11,14)
InChIKeyQDANPBIXDMXGRB-UHFFFAOYSA-N
XLogP-0.02
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-amino-3-(2-methylpropyl)-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-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate (CID 79960504) is methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate is COC(=O)C1C(N)=NC(=O)N1CC(C)C.
What is the InChIKey of methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate?
The InChIKey is QDANPBIXDMXGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-5(2)4-12-6(8(13)15-3)7(10)11-9(12)14/h5-6H,4H2,1-3H3,(H2,10,11,14).
What are the key properties of methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate?
methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate has a molecular weight of 213.24 g/mol, XLogP of -0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-3-(2-methylpropyl)-2-oxo-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79960504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).