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

C10H15NO4 — CID 61036813

IUPAC2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPBYXLEDAPYOCAV-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.63
Rot. Bonds4

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

2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (PubChem CID 61036813) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
PubChem CID61036813
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid
SMILESCCCC(C(=O)O)N1C(=O)CC(C)C1=O
InChIInChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyPBYXLEDAPYOCAV-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid (CID 61036813) is 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is CCCC(C(=O)O)N1C(=O)CC(C)C1=O.
What is the InChIKey of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
The InChIKey is PBYXLEDAPYOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-4-7(10(14)15)11-8(12)5-6(2)9(11)13/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid?
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid has a molecular weight of 213.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 61036813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).