(R)-5-Hydroxy-2-pyrrolidinone

Details

• Internal ID: 9befd5eb-72ed-4973-9c6d-a2d001d57cd8
• Taxonomy: Organoheterocyclic compounds > Pyrrolidines > Pyrrolidones > Pyrrolidine-2-ones
• IUPAC Name: (5R)-5-hydroxypyrrolidin-2-one
• SMILES (Canonical): C1CC(=O)NC1O
• SMILES (Isomeric): C1CC(=O)N[C@@H]1O
• InChI: InChI=1S/C4H7NO2/c6-3-1-2-4(7)5-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1
• InChI Key: WBGWUCXEMSSZJL-GSVOUGTGSA-N
• Popularity: 5 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₇NO₂
• Molecular Weight: 101.10 g/mol
• Exact Mass: 101.047678466 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: -0.90

Synonyms

• (R)-5-Hydroxy-2-pyrrolidinone
• (r)-5-hydroxypyrrolidin-2-one
• CHEMBL4877031
• SCHEMBL18515639
• DTXSID80937441
• 3,4-Dihydro-2H-pyrrole-2,5-diol
• AKOS006358818

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3137262	O60341	LSD1/CoREST complex	89.38%	97.09%
CHEMBL2581	P07339	Cathepsin D	89.20%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.11%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.77%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.40%	96.09%
CHEMBL1937	Q92769	Histone deacetylase 2	83.15%	94.75%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.16%	100.00%
CHEMBL5103	Q969S8	Histone deacetylase 10	81.69%	90.08%

Plants that contains it

• Condea verticillata
• Pteridium aquilinum

Cross-Links

• PubChem: 178119
• LOTUS: LTS0236512
• wikiData: Q82913669