methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate

C7H7N2O5- — CID 141161655

IUPACmethyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1cn([O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H7N2O5/c1-14-5(10)2-4-3-9(13)7(12)8-6(4)11/h3H,2H2,1H3,(H,8,11,12)/q-1
InChIKeyJUINMFGBEQYQFE-UHFFFAOYSA-N
MW199.14 g/mol
LogP-1.40
Rot. Bonds2

About methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate

methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate (PubChem CID 141161655) has the molecular formula C7H7N2O5- and a molecular weight of 199.14 g/mol. Its IUPAC name is methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate
PubChem CID141161655
Molecular FormulaC7H7N2O5-
Molecular Weight199.14 g/mol
Exact Mass199.04
IUPAC Namemethyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate
SMILESCOC(=O)Cc1cn([O-])c(=O)[nH]c1=O
InChIInChI=1S/C7H7N2O5/c1-14-5(10)2-4-3-9(13)7(12)8-6(4)11/h3H,2H2,1H3,(H,8,11,12)/q-1
InChIKeyJUINMFGBEQYQFE-UHFFFAOYSA-N
XLogP-1.40
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.14
LogP ≤ 5-1.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

Analyze methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate 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 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate?
The IUPAC name of methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate (CID 141161655) is methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate.
What is the SMILES notation for methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate?
The canonical SMILES for methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate is COC(=O)Cc1cn([O-])c(=O)[nH]c1=O.
What is the InChIKey of methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate?
The InChIKey is JUINMFGBEQYQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O5/c1-14-5(10)2-4-3-9(13)7(12)8-6(4)11/h3H,2H2,1H3,(H,8,11,12)/q-1.
What are the key properties of methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate?
methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate has a molecular weight of 199.14 g/mol, XLogP of -1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-oxido-2,4-dioxopyrimidin-5-yl)acetate is sourced from PubChem (CID 141161655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).