methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate

C9H11N3O5 — CID 43407399

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-12(4-7(14)17-2)8(15)5-3-6(13)11-9(16)10-5/h3H,4H2,1-2H3,(H2,10,11,13,16)
InChIKeyLFPBQCZUQQFILA-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.69
Rot. Bonds3

About methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate (PubChem CID 43407399) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate
PubChem CID43407399
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-12(4-7(14)17-2)8(15)5-3-6(13)11-9(16)10-5/h3H,4H2,1-2H3,(H2,10,11,13,16)
InChIKeyLFPBQCZUQQFILA-UHFFFAOYSA-N
XLogP-1.69
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate (CID 43407399) is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate?
The InChIKey is LFPBQCZUQQFILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-12(4-7(14)17-2)8(15)5-3-6(13)11-9(16)10-5/h3H,4H2,1-2H3,(H2,10,11,13,16).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate has a molecular weight of 241.20 g/mol, XLogP of -1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]acetate is sourced from PubChem (CID 43407399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).