3-(2-Aminopropanoylamino)propanoic acid

Base Information

• Chemical Name: 3-(2-Aminopropanoylamino)propanoic acid
• CAS No.: 52788-02-0
• Molecular Formula: C6H12N2O3
• Molecular Weight: 160.173
• Hs Code.: 2924199090
• ChEMBL ID: CHEMBL186269
• DSSTox Substance ID: DTXSID80967243
• Mol file: 52788-02-0.mol

Synonyms:CHEMBL186269;3-[(2-ammoniopropanoyl)amino]propanoate;3-(2-aminopropanoylamino)propanoic acid;SCHEMBL7290638;DTXSID80967243;N-(2-aminopropanoyl)-beta-alanine;BDBM50169204;AKOS010404015;3-(2-Amino-propionylamino)-propionic acid;FT-0695784;FT-0695787;N-(2-Amino-1-hydroxypropylidene)-beta-alanine;Z760082274

Chemical Property of 3-(2-Aminopropanoylamino)propanoic acid

Chemical Property:

• Boiling Point: 421.3 °C at 760 mmHg
• PKA: 4.26±0.10(Predicted)
• Flash Point: 208.6 °C
• PSA: 92.42000
• Density: 1.211
• LogP: 0.01570
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 160.08479225
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

98%Min ^*data from raw suppliers

L-Alanine-β-alanine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C(=O)NCCC(=O)O)N

Technology Process of 3-(2-Aminopropanoylamino)propanoic acid

There total 3 articles about 3-(2-Aminopropanoylamino)propanoic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

Carbobenzoxy-L-alanyl-β-alanin (41273-31-8) → L-α-alanyl-β-alanine (52788-02-0)

Guidance literature:

With hydrogen; palladium on activated charcoal;

DOI:10.1248/cpb.26.3588

Reference yield:

N-(N-benzyloxycarbonyl-L-alanyl)-β-alanine methyl ester (69875-06-5) → L-α-alanyl-β-alanine (52788-02-0)

Guidance literature:

Multi-step reaction with 2 steps

1: aq. NaOH

2: H₂ / Pd-C

With sodium hydroxide; hydrogen; palladium on activated charcoal;

DOI:10.1248/cpb.26.3588

Reference yield:

N-L-alanyl-β-alanine ethyl ester (99094-80-1) → L-α-alanyl-β-alanine (52788-02-0)

Guidance literature:

With barium dihydroxide;

upstream raw materials:

N-L-alanyl-β-alanine ethyl ester

Carbobenzoxy-L-alanyl-β-alanin

N-(N-benzyloxycarbonyl-L-alanyl)-β-alanine methyl ester

Downstream raw materials:

C₁₃H₁₆FN₃O₆S

C₁₄H₁₉N₃O₆S

Refernces