methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate

C10H13N3O5 — CID 43422775

IUPACmethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(5-9(16)18-2)8(15)4-6-3-7(14)12-10(17)11-6/h3H,4-5H2,1-2H3,(H2,11,12,14,17)
InChIKeyKIXYAMXKCWDFBU-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.76
Rot. Bonds4

About methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate

methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate (PubChem CID 43422775) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
PubChem CID43422775
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(5-9(16)18-2)8(15)4-6-3-7(14)12-10(17)11-6/h3H,4-5H2,1-2H3,(H2,11,12,14,17)
InChIKeyKIXYAMXKCWDFBU-UHFFFAOYSA-N
XLogP-1.76
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate (CID 43422775) is methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate is COC(=O)CN(C)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
The InChIKey is KIXYAMXKCWDFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-13(5-9(16)18-2)8(15)4-6-3-7(14)12-10(17)11-6/h3H,4-5H2,1-2H3,(H2,11,12,14,17).
What are the key properties of methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate?
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate has a molecular weight of 255.23 g/mol, XLogP of -1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]acetate is sourced from PubChem (CID 43422775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).