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

C8H13N3O3 — CID 79967487

IUPACmethyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C8H13N3O3/c1-4(2)11-5(7(12)14-3)6(9)10-8(11)13/h4-5H,1-3H3,(H2,9,10,13)
InChIKeyFENACDCXQWXNIJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.27
Rot. Bonds2

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

methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate (PubChem CID 79967487) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate
PubChem CID79967487
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Namemethyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate
SMILESCOC(=O)C1C(N)=NC(=O)N1C(C)C
InChIInChI=1S/C8H13N3O3/c1-4(2)11-5(7(12)14-3)6(9)10-8(11)13/h4-5H,1-3H3,(H2,9,10,13)
InChIKeyFENACDCXQWXNIJ-UHFFFAOYSA-N
XLogP-0.27
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate?
The IUPAC name of methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate (CID 79967487) is methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate is COC(=O)C1C(N)=NC(=O)N1C(C)C.
What is the InChIKey of methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate?
The InChIKey is FENACDCXQWXNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4(2)11-5(7(12)14-3)6(9)10-8(11)13/h4-5H,1-3H3,(H2,9,10,13).
What are the key properties of methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate?
methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate has a molecular weight of 199.21 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-oxo-3-propan-2-yl-4H-imidazole-4-carboxylate is sourced from PubChem (CID 79967487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).