5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid

C10H12N4O6 — CID 24710087

IUPAC5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)2-1-4(9(18)19)12-8(17)5-3-7(16)14-10(20)13-5/h3-4H,1-2H2,(H2,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyQBGKVMLESVNLCE-UHFFFAOYSA-N
MW284.23 g/mol
LogP-2.49
Rot. Bonds6

About 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid

5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 24710087) has the molecular formula C10H12N4O6 and a molecular weight of 284.23 g/mol. Its IUPAC name is 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
PubChem CID24710087
Molecular FormulaC10H12N4O6
Molecular Weight284.23 g/mol
Exact Mass284.08
IUPAC Name5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H12N4O6/c11-6(15)2-1-4(9(18)19)12-8(17)5-3-7(16)14-10(20)13-5/h3-4H,1-2H2,(H2,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20)
InChIKeyQBGKVMLESVNLCE-UHFFFAOYSA-N
XLogP-2.49
TPSA175.21 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid (CID 24710087) is 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid is NC(=O)CCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is QBGKVMLESVNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O6/c11-6(15)2-1-4(9(18)19)12-8(17)5-3-7(16)14-10(20)13-5/h3-4H,1-2H2,(H2,11,15)(H,12,17)(H,18,19)(H2,13,14,16,20).
What are the key properties of 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid?
5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 284.23 g/mol, XLogP of -2.49, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 24710087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).