1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid

C15H24N2O4 — CID 63136915

IUPAC1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyLAZQEIGZSUHNMU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.10
Rot. Bonds4

About 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid

1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid (PubChem CID 63136915) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
PubChem CID63136915
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid
SMILESCCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21)
InChIKeyLAZQEIGZSUHNMU-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-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-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid (CID 63136915) is 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid is CCC(C)N1C(=O)CC(N2CCCC(C)(C(=O)O)C2)C1=O.
What is the InChIKey of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
The InChIKey is LAZQEIGZSUHNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-10(2)17-12(18)8-11(13(17)19)16-7-5-6-15(3,9-16)14(20)21/h10-11H,4-9H2,1-3H3,(H,20,21).
What are the key properties of 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid?
1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63136915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).