ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

C9H11N3O5 — CID 60810834

IUPACethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-2-17-7(14)4-10-8(15)5-3-6(13)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyNNASEPCFESPAMM-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.64
Rot. Bonds4

About ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate

ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (PubChem CID 60810834) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
PubChem CID60810834
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Nameethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H11N3O5/c1-2-17-7(14)4-10-8(15)5-3-6(13)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,15)(H2,11,12,13,16)
InChIKeyNNASEPCFESPAMM-UHFFFAOYSA-N
XLogP-1.64
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)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

N-[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]glycine
CID 1202229
Dimethyl 2-((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)fumarate
CID 12285744
(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 12472438
methyl N-(2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carbonyl)-beta-alaninate
CID 60637217
2-[2-acetyloxyethyl-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]ethyl acetate
CID 2257313
Orotyl-glycyl-glycine
CID 12921164
2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 71299799
2-[(2,6-Dioxo-1,3-dihydropyrimidin-4-yl)carbonylamino]acetic acid
CID 1202228
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-
CID 5468899
diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate
CID 5468900
2-(2,4-dioxo-1H-pyrimidine-6-carbonyl)oxyethyl-trimethylazanium
CID 86894

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate (CID 60810834) is ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is CCOC(=O)CNC(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is NNASEPCFESPAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-2-17-7(14)4-10-8(15)5-3-6(13)12-9(16)11-5/h3H,2,4H2,1H3,(H,10,15)(H2,11,12,13,16).
What are the key properties of ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 241.20 g/mol, XLogP of -1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 60810834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).