4-Methylene-L-glutamine

Details

• Internal ID: cdc45035-0cbd-4df5-9d00-126e0f01f445
• 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-4-carbamoylpent-4-enoic acid
• SMILES (Canonical): C=C(CC(C(=O)O)N)C(=O)N
• SMILES (Isomeric): C=C(C[C@@H](C(=O)O)N)C(=O)N
• InChI: InChI=1S/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)/t4-/m0/s1
• InChI Key: CEVQXWMPODOBRM-BYPYZUCNSA-N
• Popularity: 21 references in papers

Physical and Chemical Properties

• Molecular Formula: C₆H₁₀N₂O₃
• Molecular Weight: 158.16 g/mol
• Exact Mass: 158.06914219 g/mol
• Topological Polar Surface Area (TPSA): 106.00 Ų
• XlogP: -3.60

Synonyms

• 31138-12-2
• (2S)-2-amino-4-carbamoylpent-4-enoic acid
• 4-methylidene-L-glutamine
• 4-methyleneglutamine
• C01109
• SCHEMBL1331820
• CHEBI:16747
• DTXSID30331410
• (S)-2-Amino-4-carbamoylpent-4-enoicacid
• (S)-2-Amino-4-carbamoylpent-4-enoic acid
• Q27102056

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	93.55%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	87.69%	92.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.34%	96.95%
CHEMBL233	P35372	Mu opioid receptor	86.26%	97.93%
CHEMBL1255126	O15151	Protein Mdm4	84.54%	90.20%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.18%	99.17%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	80.91%	91.11%

Plants that contains it

• Arachis hypogaea
• Brachystegia boehmii
• Styphnolobium japonicum

Cross-Links

• PubChem: 439401
• LOTUS: LTS0242845
• wikiData: Q27102056