2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid

C8H10N2O4 — CID 66327940

IUPAC2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-5-3-10(4-6(11)12)8(14)9-7(5)13/h3H,2,4H2,1H3,(H,11,12)(H,9,13,14)
InChIKeyNDZONPDKWQAOLI-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.82
Rot. Bonds3

About 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid

2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 66327940) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID66327940
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESCCc1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-2-5-3-10(4-6(11)12)8(14)9-7(5)13/h3H,2,4H2,1H3,(H,11,12)(H,9,13,14)
InChIKeyNDZONPDKWQAOLI-UHFFFAOYSA-N
XLogP-0.82
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Methyl 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetate
CID 3757668
(2S)-2-(dimethylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 56774428
(2S)-2-(diethylamino)-3-(5-ethyl-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 71693221
n3-Carboxymethylthymine
CID 15747554
2-[2-(5-Methyl-2,4-dioxopyrimidin-1-yl)pyrrolidin-1-yl]acetic acid
CID 89904170
2-(Methylamino)-ethylglycine-carbonylmethylene-thymine
CID 3381447
2-Aminoethylglycine-carbonylmethylene-thymine
CID 3382776
2-[[2-(2,4-dioxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 54529873
Thymine-1-yl butyric acid
CID 129734193
Copper;dioxidanium;bis(2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate)
CID 168337985
Ethyl 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)-2-fluoroacetate
CID 81297003

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 66327940) is 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid is CCc1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is NDZONPDKWQAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-2-5-3-10(4-6(11)12)8(14)9-7(5)13/h3H,2,4H2,1H3,(H,11,12)(H,9,13,14).
What are the key properties of 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 198.18 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 66327940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).