(2S)-2-amino-3-[(2S)-5-oxooxolan-2-yl]propanoic acid

Details

• Internal ID: a7e6d0d8-eaf6-411e-8e98-1efc663660a7
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids > L-alpha-amino acids
• IUPAC Name: (2S)-2-amino-3-[(2S)-5-oxooxolan-2-yl]propanoic acid
• SMILES (Canonical): C1CC(=O)OC1CC(C(=O)O)N
• SMILES (Isomeric): C1CC(=O)O[C@@H]1C[C@@H](C(=O)O)N
• InChI: InChI=1S/C7H11NO4/c8-5(7(10)11)3-4-1-2-6(9)12-4/h4-5H,1-3,8H2,(H,10,11)/t4-,5-/m0/s1
• InChI Key: COZVJQVSNYNVIL-WHFBIAKZSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₁NO₄
• Molecular Weight: 173.17 g/mol
• Exact Mass: 173.06880783 g/mol
• Topological Polar Surface Area (TPSA): 89.60 Ų
• XlogP: -3.00

Synonyms

There are no found synonyms.

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.39%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.94%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.25%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.17%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.53%	99.17%
CHEMBL2581	P07339	Cathepsin D	81.73%	98.95%

Plants that contains it

• Asplenium prolongatum

Cross-Links

• PubChem: 162860555
• LOTUS: LTS0071481
• wikiData: Q104967396