3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid

C10H12N2O4 — CID 134249155

IUPAC3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid
SMILESO=C1C=CC(=O)N1C1(C(=O)O)CCCNC1
InChIInChI=1S/C10H12N2O4/c13-7-2-3-8(14)12(7)10(9(15)16)4-1-5-11-6-10/h2-3,11H,1,4-6H2,(H,15,16)
InChIKeyVUUSFOMJDKGMIE-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.88
Rot. Bonds2

About 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid

3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid (PubChem CID 134249155) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid
PubChem CID134249155
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid
SMILESO=C1C=CC(=O)N1C1(C(=O)O)CCCNC1
InChIInChI=1S/C10H12N2O4/c13-7-2-3-8(14)12(7)10(9(15)16)4-1-5-11-6-10/h2-3,11H,1,4-6H2,(H,15,16)
InChIKeyVUUSFOMJDKGMIE-UHFFFAOYSA-N
XLogP-0.88
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(2,5-dioxopyrrol-1-yl)piperidine-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 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid (CID 134249155) is 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid is O=C1C=CC(=O)N1C1(C(=O)O)CCCNC1.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid?
The InChIKey is VUUSFOMJDKGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-2-3-8(14)12(7)10(9(15)16)4-1-5-11-6-10/h2-3,11H,1,4-6H2,(H,15,16).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid?
3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 134249155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).