1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid

C15H22N2O4 — CID 63721248

IUPAC1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CC(=O)N(C3CCCC3)C2=O)CC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9-7-16(8-11(9)15(20)21)12-6-13(18)17(14(12)19)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,20,21)
InChIKeyDZSLXOUOZAVKJU-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.71
Rot. Bonds3

About 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid

1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63721248) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63721248
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C2CC(=O)N(C3CCCC3)C2=O)CC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-9-7-16(8-11(9)15(20)21)12-6-13(18)17(14(12)19)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,20,21)
InChIKeyDZSLXOUOZAVKJU-UHFFFAOYSA-N
XLogP0.71
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic 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 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid (CID 63721248) is 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C2CC(=O)N(C3CCCC3)C2=O)CC1C(=O)O.
What is the InChIKey of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is DZSLXOUOZAVKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9-7-16(8-11(9)15(20)21)12-6-13(18)17(14(12)19)10-4-2-3-5-10/h9-12H,2-8H2,1H3,(H,20,21).
What are the key properties of 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid?
1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-2,5-dioxopyrrolidin-3-yl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).