4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid

C10H13NO4 — CID 146207135

IUPAC4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
SMILESCC(CC(C)N1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-6(10(14)15)5-7(2)11-8(12)3-4-9(11)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyDANKRUQCINNLOV-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.41
Rot. Bonds4

About 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid

4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid (PubChem CID 146207135) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
PubChem CID146207135
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
SMILESCC(CC(C)N1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-6(10(14)15)5-7(2)11-8(12)3-4-9(11)13/h3-4,6-7H,5H2,1-2H3,(H,14,15)
InChIKeyDANKRUQCINNLOV-UHFFFAOYSA-N
XLogP0.41
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid (CID 146207135) is 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid is CC(CC(C)N1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The InChIKey is DANKRUQCINNLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-6(10(14)15)5-7(2)11-8(12)3-4-9(11)13/h3-4,6-7H,5H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 146207135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).