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

C10H13NO4 — CID 104683053

IUPAC5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
SMILESCC(CCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-7(10(14)15)3-2-6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyCULPNYIWWZKIED-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.41
Rot. Bonds5

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

5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid (PubChem CID 104683053) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
PubChem CID104683053
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
SMILESCC(CCCN1C(=O)C=CC1=O)C(=O)O
InChIInChI=1S/C10H13NO4/c1-7(10(14)15)3-2-6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyCULPNYIWWZKIED-UHFFFAOYSA-N
XLogP0.41
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 ≤ 50.41
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 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The IUPAC name of 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid (CID 104683053) is 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid.
What is the SMILES notation for 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The canonical SMILES for 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid is CC(CCCN1C(=O)C=CC1=O)C(=O)O.
What is the InChIKey of 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
The InChIKey is CULPNYIWWZKIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-7(10(14)15)3-2-6-11-8(12)4-5-9(11)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid?
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid is sourced from PubChem (CID 104683053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).