(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione

C7H10N2O3 — CID 6999435

IUPAC(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)[C@@H]1/C=N/CCO
InChIInChI=1S/C7H10N2O3/c10-2-1-8-3-5-6(11)4-9-7(5)12/h3,5,10H,1-2,4H2,(H,9,12)/b8-3+/t5-/m1/s1
InChIKeyGLVKMZQEGQSXSR-DKJYPSCKSA-N
MW170.17 g/mol
LogP-1.64
Rot. Bonds3

About (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione

(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione (PubChem CID 6999435) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione
PubChem CID6999435
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)[C@@H]1/C=N/CCO
InChIInChI=1S/C7H10N2O3/c10-2-1-8-3-5-6(11)4-9-7(5)12/h3,5,10H,1-2,4H2,(H,9,12)/b8-3+/t5-/m1/s1
InChIKeyGLVKMZQEGQSXSR-DKJYPSCKSA-N
XLogP-1.64
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione 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 (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione?
The IUPAC name of (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione (CID 6999435) is (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione.
What is the SMILES notation for (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione?
The canonical SMILES for (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione is O=C1CNC(=O)[C@@H]1/C=N/CCO.
What is the InChIKey of (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione?
The InChIKey is GLVKMZQEGQSXSR-DKJYPSCKSA-N. The full InChI is InChI=1S/C7H10N2O3/c10-2-1-8-3-5-6(11)4-9-7(5)12/h3,5,10H,1-2,4H2,(H,9,12)/b8-3+/t5-/m1/s1.
What are the key properties of (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione?
(3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-hydroxyethyliminomethyl)pyrrolidine-2,4-dione is sourced from PubChem (CID 6999435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).