ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

C11H15N3O5 — CID 15518000

IUPACethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-19-9(16)4-12-8(15)6-14-5-7(2)10(17)13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,15)(H,13,17,18)
InChIKeyVFCJZSVQQNPKKE-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.48
Rot. Bonds5

About ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate

ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 15518000) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID15518000
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Nameethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O5/c1-3-19-9(16)4-12-8(15)6-14-5-7(2)10(17)13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,15)(H,13,17,18)
InChIKeyVFCJZSVQQNPKKE-UHFFFAOYSA-N
XLogP-1.48
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate (CID 15518000) is ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is VFCJZSVQQNPKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-3-19-9(16)4-12-8(15)6-14-5-7(2)10(17)13-11(14)18/h5H,3-4,6H2,1-2H3,(H,12,15)(H,13,17,18).
What are the key properties of ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate?
ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 269.26 g/mol, XLogP of -1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 15518000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).