4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid

C9H10N4O6 — CID 24708139

IUPAC4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)11-7(16)3-2-6(15)13-9(19)12-3/h2,4H,1H2,(H2,10,14)(H,11,16)(H,17,18)(H2,12,13,15,19)
InChIKeyOQGVKBABQSSBEM-UHFFFAOYSA-N
MW270.20 g/mol
LogP-2.88
Rot. Bonds5

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

4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid (PubChem CID 24708139) has the molecular formula C9H10N4O6 and a molecular weight of 270.20 g/mol. Its IUPAC name is 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
PubChem CID24708139
Molecular FormulaC9H10N4O6
Molecular Weight270.20 g/mol
Exact Mass270.06
IUPAC Name4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid
SMILESNC(=O)CC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)11-7(16)3-2-6(15)13-9(19)12-3/h2,4H,1H2,(H2,10,14)(H,11,16)(H,17,18)(H2,12,13,15,19)
InChIKeyOQGVKBABQSSBEM-UHFFFAOYSA-N
XLogP-2.88
TPSA175.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.20
LogP ≤ 5-2.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid (CID 24708139) is 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid is NC(=O)CC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid?
The InChIKey is OQGVKBABQSSBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O6/c10-5(14)1-4(8(17)18)11-7(16)3-2-6(15)13-9(19)12-3/h2,4H,1H2,(H2,10,14)(H,11,16)(H,17,18)(H2,12,13,15,19).
What are the key properties of 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid?
4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid has a molecular weight of 270.20 g/mol, XLogP of -2.88, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 24708139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).