2-Amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid

Details

• Internal ID: 0f764403-af61-4a1d-8fe9-c35af01c3514
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: 2-amino-4-(5-oxo-1,2-oxazolidin-2-yl)butanoic acid
• SMILES (Canonical): C1CN(OC1=O)CCC(C(=O)O)N
• SMILES (Isomeric): C1CN(OC1=O)CCC(C(=O)O)N
• InChI: InChI=1S/C7H12N2O4/c8-5(7(11)12)1-3-9-4-2-6(10)13-9/h5H,1-4,8H2,(H,11,12)
• InChI Key: NYHRSUSPEYSYFX-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₇H₁₂N₂O₄
• Molecular Weight: 188.18 g/mol
• Exact Mass: 188.07970687 g/mol
• Topological Polar Surface Area (TPSA): 92.90 Ų
• XlogP: -3.20

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
CHEMBL4040	P28482	MAP kinase ERK2	99.15%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL2581	P07339	Cathepsin D	93.56%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.95%	95.56%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	85.82%	90.71%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	81.56%	93.00%
CHEMBL274	P51681	C-C chemokine receptor type 5	80.55%	98.77%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.16%	99.17%

Plants that contains it

• Lathyrus odoratus
• Lathyrus sativus

Cross-Links

• PubChem: 57350456
• LOTUS: LTS0214009
• wikiData: Q105187509