methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

C10H13N3O5 — CID 38021402

IUPACmethyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O5/c1-12-8(15)3-4-13(10(12)17)6-7(14)11-5-9(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyLIXDRXBTRFDYPE-UHFFFAOYSA-N
MW255.23 g/mol
LogP-2.16
Rot. Bonds4

About methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 38021402) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID38021402
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(=O)n(C)c1=O
InChIInChI=1S/C10H13N3O5/c1-12-8(15)3-4-13(10(12)17)6-7(14)11-5-9(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyLIXDRXBTRFDYPE-UHFFFAOYSA-N
XLogP-2.16
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-2.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]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-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (CID 38021402) is methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1ccc(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is LIXDRXBTRFDYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-12-8(15)3-4-13(10(12)17)6-7(14)11-5-9(16)18-2/h3-4H,5-6H2,1-2H3,(H,11,14).
What are the key properties of methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 255.23 g/mol, XLogP of -2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 38021402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).