5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid

C10H13NO4 — CID 57212338

IUPAC5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESCC1=CC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C10H13NO4/c1-7-6-8(12)11(10(7)15)5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyWYQGMTSEZXPFOS-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.56
Rot. Bonds5

About 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid

5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid (PubChem CID 57212338) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
PubChem CID57212338
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid
SMILESCC1=CC(=O)N(CCCCC(=O)O)C1=O
InChIInChI=1S/C10H13NO4/c1-7-6-8(12)11(10(7)15)5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyWYQGMTSEZXPFOS-UHFFFAOYSA-N
XLogP0.56
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The IUPAC name of 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid (CID 57212338) is 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The canonical SMILES for 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid is CC1=CC(=O)N(CCCCC(=O)O)C1=O.
What is the InChIKey of 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
The InChIKey is WYQGMTSEZXPFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7-6-8(12)11(10(7)15)5-3-2-4-9(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid?
5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-2,5-dioxopyrrol-1-yl)pentanoic acid is sourced from PubChem (CID 57212338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).