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

C10H13NO4 — CID 62044403

IUPAC4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-10(2,6-5-9(14)15)11-7(12)3-4-8(11)13/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyPERRFYNGZHDINE-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.55
Rot. Bonds4

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

4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid (PubChem CID 62044403) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
PubChem CID62044403
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid
SMILESCC(C)(CCC(=O)O)N1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c1-10(2,6-5-9(14)15)11-7(12)3-4-8(11)13/h3-4H,5-6H2,1-2H3,(H,14,15)
InChIKeyPERRFYNGZHDINE-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
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)-4-methylpentanoic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid (CID 62044403) is 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid is CC(C)(CCC(=O)O)N1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid?
The InChIKey is PERRFYNGZHDINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c1-10(2,6-5-9(14)15)11-7(12)3-4-8(11)13/h3-4H,5-6H2,1-2H3,(H,14,15).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid?
4-(2,5-dioxopyrrol-1-yl)-4-methylpentanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.55, 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)-4-methylpentanoic acid is sourced from PubChem (CID 62044403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).