2-Amino-3-(methylamino)propanoic acid

Details

• Internal ID: 0480b93b-0d9c-43e6-9dec-cd660743f3fb
• 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-3-(methylamino)propanoic acid
• SMILES (Canonical): CNCC(C(=O)O)N
• SMILES (Isomeric): CNCC(C(=O)O)N
• InChI: InChI=1S/C4H10N2O2/c1-6-2-3(5)4(7)8/h3,6H,2,5H2,1H3,(H,7,8)
• InChI Key: UJVHVMNGOZXSOZ-UHFFFAOYSA-N
• Popularity: 437 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₁₀N₂O₂
• Molecular Weight: 118.13 g/mol
• Exact Mass: 118.074227566 g/mol
• Topological Polar Surface Area (TPSA): 75.40 Ų
• XlogP: -3.80

Synonyms

• 16676-91-8
• alpha-Amino-beta-methylaminopropionate
• alpha-Amino-beta-methylaminopropionic acid
• 17463-44-4
• D-SS-(N-METHYLAMINO)ALANINE
• (+/-)-BMAA HYDROCHLORIDE (SYNTHETIC) SYN THETIC PREPARATION
• Propionic acid, alpha-amino-beta-methylamino-
• Propionic acid, 2-amino-3-(methylamino)-, hydrochloride, D- (8CI)
• 741643-07-2
• 3-(METHYLAMINO)-(DL)-ALANINE
• DL-Alanine, 3-(methylamino)-
• HSDB 3461
• Alanine, 3-(methylamino)-
• DL-alpha-Amino-beta-methylaminopropionic acid
• Propionic acid, 2-amino-3-(methylamino)-, DL-
• 2-Amino-3(methylamino)propionic acid
• Beta-Methylamino-L-alanine
• DL-alpha-Amino-beta-(methylamino)propionic acid
• SCHEMBL43840
• Propionic acid, alpha-amino-beta-methylamino-, DL-
• CHEMBL1486321
• DTXSID101292415
• BCP09610
• 2-amino-3-(methylamino)propanoicacid
• AKOS006230696
• 2-amino-3-(methylamino)-propanoic acid
• NCGC00167766-01
• FT-0671446
• FT-0771576
• Q2930096

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	97.12%	83.82%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.50%	96.09%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	90.47%	92.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.08%	96.95%
CHEMBL221	P23219	Cyclooxygenase-1	85.25%	90.17%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.08%	99.17%
CHEMBL2581	P07339	Cathepsin D	84.93%	98.95%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.19%	100.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.29%	94.33%

Plants that contains it

• Cycas circinalis
• Cycas rumphii

Cross-Links

• PubChem: 28558
• LOTUS: LTS0175145
• wikiData: Q2930096