2-(2,4-dioxopyrimidin-1-yl)hexanoic acid

C10H14N2O4 — CID 70400742

IUPAC2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyUWJFVIOTUNGNQM-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.35
Rot. Bonds5

About 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid

2-(2,4-dioxopyrimidin-1-yl)hexanoic acid (PubChem CID 70400742) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid.

Molecular Properties

Compound Name2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
PubChem CID70400742
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-(2,4-dioxopyrimidin-1-yl)hexanoic acid
SMILESCCCCC(C(=O)O)n1ccc(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16)
InChIKeyUWJFVIOTUNGNQM-UHFFFAOYSA-N
XLogP0.35
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-6-amino-2-((S)-2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)hexanoic acid
CID 44413657
(S)-6-amino-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetamido)hexanoic acid
CID 44413677
(2S)-3-(2,4-dioxopyrimidin-1-yl)-2-(hexanoylamino)propanoic acid
CID 56774522
2-Aminoethyllysine-carbonylmethylene-thymine
CID 5289433
(2S)-2-amino-5-(2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 642655
2-Amino-6-(5-methyl-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 21588566
2-Amino-5-(2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 21588567
6-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]hexanoic acid
CID 13337058
2,6-diaminohexanoic acid;1H-pyrimidine-2,4-dione
CID 21252811
2-(6-amino-2,4-dioxo-1H-pyrimidin-3-yl)pentanoic acid
CID 21958590
2-(6-Amino-2,4-dioxopyrimidin-1-yl)pentanoic acid
CID 21958787
6-(6-Hydroxy-2,4-dioxopyrimidin-1-yl)hexanoic acid
CID 54020445

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The IUPAC name of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid (CID 70400742) is 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid.
What is the SMILES notation for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The canonical SMILES for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid is CCCCC(C(=O)O)n1ccc(=O)[nH]c1=O.
What is the InChIKey of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
The InChIKey is UWJFVIOTUNGNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-3-4-7(9(14)15)12-6-5-8(13)11-10(12)16/h5-7H,2-4H2,1H3,(H,14,15)(H,11,13,16).
What are the key properties of 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid?
2-(2,4-dioxopyrimidin-1-yl)hexanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxopyrimidin-1-yl)hexanoic acid is sourced from PubChem (CID 70400742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).