(3S)-5-oxopyrrolidine-3-carboxylic acid

C5H7NO3 — CID 25100087

IUPAC(3S)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)CN1
InChIInChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyGZVHQYZRBCSHAI-VKHMYHEASA-N
MW129.11 g/mol
LogP-0.79
Rot. Bonds1

About (3S)-5-oxopyrrolidine-3-carboxylic acid

(3S)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 25100087) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is (3S)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID25100087
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name(3S)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1C[C@H](C(=O)O)CN1
InChIInChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
InChIKeyGZVHQYZRBCSHAI-VKHMYHEASA-N
XLogP-0.79
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 ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-5-oxopyrrolidine-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 (3S)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-5-oxopyrrolidine-3-carboxylic acid (CID 25100087) is (3S)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-5-oxopyrrolidine-3-carboxylic acid is O=C1C[C@H](C(=O)O)CN1.
What is the InChIKey of (3S)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GZVHQYZRBCSHAI-VKHMYHEASA-N. The full InChI is InChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1.
What are the key properties of (3S)-5-oxopyrrolidine-3-carboxylic acid?
(3S)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 129.11 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 25100087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).