5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid

C10H14N2O4 — CID 10656829

IUPAC5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESCc1cn(CCCCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-12(10(16)11-9(7)15)5-3-2-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,11,15,16)
InChIKeyZKGQQVUQHLRLHL-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.10
Rot. Bonds5

About 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid

5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid (PubChem CID 10656829) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
PubChem CID10656829
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid
SMILESCc1cn(CCCCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-7-6-12(10(16)11-9(7)15)5-3-2-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,11,15,16)
InChIKeyZKGQQVUQHLRLHL-UHFFFAOYSA-N
XLogP0.10
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 ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The IUPAC name of 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid (CID 10656829) is 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid is Cc1cn(CCCCC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
The InChIKey is ZKGQQVUQHLRLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-6-12(10(16)11-9(7)15)5-3-2-4-8(13)14/h6H,2-5H2,1H3,(H,13,14)(H,11,15,16).
What are the key properties of 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid?
5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid has a molecular weight of 226.23 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-2,4-dioxopyrimidin-1-yl)pentanoic acid is sourced from PubChem (CID 10656829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).