Albizziin

Details

• Internal ID: d160c6e6-1503-40a7-bfc3-7006f2c6acb9
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Alpha amino acids and derivatives > Alpha amino acids
• IUPAC Name: (2S)-2-amino-3-(carbamoylamino)propanoic acid
• SMILES (Canonical): C(C(C(=O)O)N)NC(=O)N
• SMILES (Isomeric): C([C@@H](C(=O)O)N)NC(=O)N
• InChI: InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1
• InChI Key: GZYFIMLSHBLMKF-REOHCLBHSA-N
• Popularity: 72 references in papers

Physical and Chemical Properties

• Molecular Formula: C₄H₉N₃O₃
• Molecular Weight: 147.13 g/mol
• Exact Mass: 147.06439116 g/mol
• Topological Polar Surface Area (TPSA): 118.00 Ų
• XlogP: -4.60

Synonyms

• 1483-07-4
• L-Albizziine
• L-Albizziin
• Albizzine
• L-2-Amino-3-ureidopropionic acid
• L-beta-Ureidoalanine
• Albizzin
• (S)-2-Amino-3-ureidopropanoic acid
• (2S)-2-amino-3-(carbamoylamino)propanoic acid
• NSC 132089
• L-Alanine, 3-[(aminocarbonyl)amino]-
• RW59AS48CR
• (S)-2-Amino-3-ureidopropanoicacid
• NSC-132089
• A808754
• L-Alanine, 3-((aminocarbonyl)amino)-
• Albizziin (VAN)
• 3-Ureido-L-alanin
• C4H9N3O3
• h-beta-(ureido)-ala-oh
• UNII-RW59AS48CR
• L-(-)-2-Amino-3-ureidopropionic acid
• (Butyl Paraben)
• EINECS 216-046-1
• L-(-)2-amino-3-ureidopropionic acid
• NSC 407273
• Albizziin, AldrichCPR
• (2S)-2-amino-3-ureido-propanoic acid
• ALBIZZIIN [MI]
• Butyl 4-?Hydroxybenzoate
• SCHEMBL690347
• CHEBI:6173
• GZYFIMLSHBLMKF-REOHCLBHSA-N
• AlbiZZiin (H-Dap(CONH2)-OH)
• DTXSID501318659
• 3-[(Aminocarbonyl)amino]alanine #
• AMY22571
• MFCD00007952
• NSC823850
• ZINC01531037
• AKOS006237907
• NSC-823850
• AS-63003
• Propionic acid, 2-amino-3-ureido-, L-
• 3-((AMINOCARBONYL)AMINO)-L-ALANINE
• HY-121167
• CS-0079579
• (2S)-2-ammonio-3-(carbamoylamino)propanoate
• A-4650
• C08264
• C90278
• EN300-7026825
• (2S)-3-(aminocarbonylamino)-2-azaniumyl-propanoate
• Q27107112
• H--((Aminocarbonyl)amino)-Ala-OH;H-Dap(carbamoyl)-OH

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4040	P28482	MAP kinase ERK2	63.1 nM	Potency	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	95.20%	92.29%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.03%	96.09%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	91.27%	96.95%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	90.75%	97.21%
CHEMBL221	P23219	Cyclooxygenase-1	88.36%	90.17%
CHEMBL3437	Q16853	Amine oxidase, copper containing	83.68%	94.00%
CHEMBL1255126	O15151	Protein Mdm4	83.01%	90.20%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	82.84%	100.00%
CHEMBL2581	P07339	Cathepsin D	82.35%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.30%	91.11%
CHEMBL2431	P31751	Serine/threonine-protein kinase AKT2	81.56%	98.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.03%	99.17%

Plants that contains it

• Acacia paradoxa
• Albizia julibrissin
• Mariosousa millefolia

Cross-Links

• PubChem: 92891
• LOTUS: LTS0057923
• wikiData: Q27107112