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

C9H11N3O5 — CID 43408664

IUPACmethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-17-8(15)4-10-7(14)5-12-3-2-6(13)11-9(12)16/h2-3H,4-5H2,1H3,(H,10,14)(H,11,13,16)
InChIKeyGOFUPCFNGNKYOK-UHFFFAOYSA-N
MW241.20 g/mol
LogP-2.17
Rot. Bonds4

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

methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 43408664) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID43408664
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Namemethyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-17-8(15)4-10-7(14)5-12-3-2-6(13)11-9(12)16/h2-3H,4-5H2,1H3,(H,10,14)(H,11,13,16)
InChIKeyGOFUPCFNGNKYOK-UHFFFAOYSA-N
XLogP-2.17
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-2.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (CID 43408664) is methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is GOFUPCFNGNKYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-17-8(15)4-10-7(14)5-12-3-2-6(13)11-9(12)16/h2-3H,4-5H2,1H3,(H,10,14)(H,11,13,16).
What are the key properties of methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 241.20 g/mol, XLogP of -2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 43408664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).