2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid

C9H11N3O6 — CID 24696674

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O6/c1-3(13)6(8(16)17)12-7(15)4-2-5(14)11-9(18)10-4/h2-3,6,13H,1H3,(H,12,15)(H,16,17)(H2,10,11,14,18)
InChIKeyJQZDEYLILHBFCU-UHFFFAOYSA-N
MW257.20 g/mol
LogP-2.37
Rot. Bonds4

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid (PubChem CID 24696674) has the molecular formula C9H11N3O6 and a molecular weight of 257.20 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
PubChem CID24696674
Molecular FormulaC9H11N3O6
Molecular Weight257.20 g/mol
Exact Mass257.06
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid
SMILESCC(O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C9H11N3O6/c1-3(13)6(8(16)17)12-7(15)4-2-5(14)11-9(18)10-4/h2-3,6,13H,1H3,(H,12,15)(H,16,17)(H2,10,11,14,18)
InChIKeyJQZDEYLILHBFCU-UHFFFAOYSA-N
XLogP-2.37
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 5-2.37
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid (CID 24696674) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid is CC(O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid?
The InChIKey is JQZDEYLILHBFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O6/c1-3(13)6(8(16)17)12-7(15)4-2-5(14)11-9(18)10-4/h2-3,6,13H,1H3,(H,12,15)(H,16,17)(H2,10,11,14,18).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid has a molecular weight of 257.20 g/mol, XLogP of -2.37, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-hydroxybutanoic acid is sourced from PubChem (CID 24696674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).