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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(3-ethoxypropyl)acetamide
CID 2149971
2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-N-(2-(2-hydroxyethoxy)ethyl)acetamide
CID 2149969
Ethyl (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-3-pyrimidinyl)-acetate
CID 23244914
methyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1H-pyrimidin-6-yl]acetate
CID 138968519
ethyl 2-(6-but-3-enyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968655
ethyl 2-(6-cyclopropyl-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 138968656
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 2149978
methyl 2-(2,4-dioxo-6-propyl-1H-pyrimidin-3-yl)acetate
CID 22075431
ethyl 2-[2-(4-amino-6-oxo-1H-pyridin-2-yl)ethylcarbamoylamino]acetate
CID 141447217
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-morpholin-4-ium-4-ylpropyl)acetamide
CID 2149977
Ethyl 2-amino-2-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetate
CID 12328994
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43171702

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).