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

C10H13N3O5 — CID 54921276

IUPACethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-2-18-9(16)5-11-7(14)3-6-4-8(15)13-10(17)12-6/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,15,17)
InChIKeyHZYCAJAUQGRDQG-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.72
Rot. Bonds5

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

ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate (PubChem CID 54921276) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
PubChem CID54921276
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-2-18-9(16)5-11-7(14)3-6-4-8(15)13-10(17)12-6/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,15,17)
InChIKeyHZYCAJAUQGRDQG-UHFFFAOYSA-N
XLogP-1.72
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate (CID 54921276) is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
The InChIKey is HZYCAJAUQGRDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-18-9(16)5-11-7(14)3-6-4-8(15)13-10(17)12-6/h4H,2-3,5H2,1H3,(H,11,14)(H2,12,13,15,17).
What are the key properties of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate?
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate has a molecular weight of 255.23 g/mol, XLogP of -1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetate is sourced from PubChem (CID 54921276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).