4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid

C10H12N2O4 — CID 134249153

IUPAC4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid
SMILESO=C1C=CC(=O)N1C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(7)10(9(15)16)3-5-11-6-4-10/h1-2,11H,3-6H2,(H,15,16)
InChIKeyOBIUIMWLDSBFOB-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.88
Rot. Bonds2

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

4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid (PubChem CID 134249153) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid
PubChem CID134249153
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid
SMILESO=C1C=CC(=O)N1C1(C(=O)O)CCNCC1
InChIInChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(7)10(9(15)16)3-5-11-6-4-10/h1-2,11H,3-6H2,(H,15,16)
InChIKeyOBIUIMWLDSBFOB-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid (CID 134249153) is 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid is O=C1C=CC(=O)N1C1(C(=O)O)CCNCC1.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is OBIUIMWLDSBFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-1-2-8(14)12(7)10(9(15)16)3-5-11-6-4-10/h1-2,11H,3-6H2,(H,15,16).
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid?
4-(2,5-dioxopyrrol-1-yl)piperidine-4-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 4-(2,5-dioxopyrrol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 134249153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).