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

C11H11N3O3 — CID 15054183

IUPACbenzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate
SMILESNC1=NC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C11H11N3O3/c12-10-13-9(15)6-14(10)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,15)
InChIKeySCVMCFNJVXZGKM-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.48
Rot. Bonds2

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

benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate (PubChem CID 15054183) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate.

Molecular Properties

Compound Namebenzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate
PubChem CID15054183
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Namebenzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate
SMILESNC1=NC(=O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C11H11N3O3/c12-10-13-9(15)6-14(10)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,15)
InChIKeySCVMCFNJVXZGKM-UHFFFAOYSA-N
XLogP0.48
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate?
The IUPAC name of benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate (CID 15054183) is benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate.
What is the SMILES notation for benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate?
The canonical SMILES for benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate is NC1=NC(=O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate?
The InChIKey is SCVMCFNJVXZGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-10-13-9(15)6-14(10)11(16)17-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,13,15).
What are the key properties of benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate?
benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate has a molecular weight of 233.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-5-oxo-4H-imidazole-3-carboxylate is sourced from PubChem (CID 15054183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).