(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid

Details

• Internal ID: 3d18cb19-50d8-424e-ad79-0f94df7ccfa2
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives
• IUPAC Name: (2S,4R)-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
• SMILES (Canonical): C1C(C=NC1C(=O)O)O
• SMILES (Isomeric): C1[C@H](C=N[C@@H]1C(=O)O)O
• InChI: InChI=1S/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)/t3-,4+/m1/s1
• InChI Key: WFOFKRKDDKGRIK-DMTCNVIQSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₅H₇NO₃
• Molecular Weight: 129.11 g/mol
• Exact Mass: 129.042593085 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: -1.10

Synonyms

• (3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic acid
• L-1-Pyrroline-3-hydroxy-5-carboxylate
• (3R,5S)-1-Pyrroline-3-hydroxy-5-carboxylate
• (2S,4R)-4-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylic acid
• (3R,5S)-3-hydroxy-1-pyrroline-5-carboxylate
• C04281
• CHEBI:6151
• AKOS006378636
• 3-Hydroxy-L-1-pyrroline-5-carboxylic acid
• L-1-Pyrroline-3-hydroxy-5-carboxylic acid
• Q27107108

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.43%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	80.09%	94.62%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 11966267
• LOTUS: LTS0074540
• wikiData: Q27107108