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

C13H19N3O5 — CID 65284542

IUPAC6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1c[nH]c(=O)[nH]c1=O)CCC(=O)O
InChIInChI=1S/C13H19N3O5/c1-13(2,4-3-9(17)18)5-6-14-10(19)8-7-15-12(21)16-11(8)20/h7H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)
InChIKeyWAUZQSMDQVJUTJ-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.07
Rot. Bonds7

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

6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 65284542) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid
PubChem CID65284542
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid
SMILESCC(C)(CCNC(=O)c1c[nH]c(=O)[nH]c1=O)CCC(=O)O
InChIInChI=1S/C13H19N3O5/c1-13(2,4-3-9(17)18)5-6-14-10(19)8-7-15-12(21)16-11(8)20/h7H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21)
InChIKeyWAUZQSMDQVJUTJ-UHFFFAOYSA-N
XLogP0.07
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid (CID 65284542) is 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid is CC(C)(CCNC(=O)c1c[nH]c(=O)[nH]c1=O)CCC(=O)O.
What is the InChIKey of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is WAUZQSMDQVJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c1-13(2,4-3-9(17)18)5-6-14-10(19)8-7-15-12(21)16-11(8)20/h7H,3-6H2,1-2H3,(H,14,19)(H,17,18)(H2,15,16,20,21).
What are the key properties of 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid?
6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 65284542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).