5-oxopyrrolidine-2-carboxylic acid

C5H7NO3 — CID 499

IUPAC5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyODHCTXKNWHHXJC-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.65
Rot. Bonds1

About 5-oxopyrrolidine-2-carboxylic acid

5-oxopyrrolidine-2-carboxylic acid (PubChem CID 499) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxopyrrolidine-2-carboxylic acid
PubChem CID499
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1CCC(C(=O)O)N1
InChIInChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyODHCTXKNWHHXJC-UHFFFAOYSA-N
XLogP-0.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-oxopyrrolidine-2-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 5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxopyrrolidine-2-carboxylic acid (CID 499) is 5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxopyrrolidine-2-carboxylic acid is O=C1CCC(C(=O)O)N1.
What is the InChIKey of 5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is ODHCTXKNWHHXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of 5-oxopyrrolidine-2-carboxylic acid?
5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).