(S)-2-((Ethoxycarbonyl)amino)propanoic acid

Base Information

• Chemical Name: (S)-2-((Ethoxycarbonyl)amino)propanoic acid
• CAS No.: 16639-86-4
• Molecular Formula: C6H11NO4
• Molecular Weight: 161.158
• DSSTox Substance ID: DTXSID70441663
• Nikkaji Number: J1.566.938A
• Wikidata: Q82258530
• Mol file: 16639-86-4.mol

Synonyms:(S)-2-((Ethoxycarbonyl)amino)propanoic acid;16639-86-4;N-(Ethoxycarbonyl)alanine;(2S)-2-(ethoxycarbonylamino)propanoic acid;N-alpha-Ethoxycarbonyl-L-alanine;N-ethoxycarbonylalanine;N-ethoxycarbonyl alanine;N-ethoxycar-bonyl-l-alanine;N-(Ethoxycarbonyl)-L-alanine;SCHEMBL3551870;L-Alanine, N-(ethoxycarbonyl)-;DTXSID70441663;JYQWKPMPTMJFCY-BYPYZUCNSA-N;(ETHOXYCARBONYL)-L-ALANINE;Alanine, N-carboxy-, N-ethyl ester, L-;(S)-2-((Ethoxycarbonyl)amino)propanoicacid;(2S)-2-[(ethoxycarbonyl)amino]propanoic acid;J-505261

Chemical Property of (S)-2-((Ethoxycarbonyl)amino)propanoic acid

Chemical Property:

• PSA: 79.12000
• LogP: 0.41000
• Storage Temp.: 2-8°C
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 161.06880783
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

(S)-2-((Ethoxycarbonyl)amino)propanoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC(C)C(=O)O
• Isomeric SMILES: CCOC(=O)N[C@@H](C)C(=O)O

Technology Process of (S)-2-((Ethoxycarbonyl)amino)propanoic acid

There total 3 articles about (S)-2-((Ethoxycarbonyl)amino)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: 100.0%

L-alanin (56-41-7,25191-17-7,18875-37-1) + chloroformic acid ethyl ester (541-41-3) → N-ethoxycarbonyl-L-alanine (16639-86-4)

Guidance literature:

With sodium hydroxide; at 15 ℃; for 1h; pH=9;

DOI:10.1002/1521-4184(200205)335:5<229::AID-ARDP229>3.0.CO;2-Q

Reference yield:

→ N-ethoxycarbonyl-L-alanine (16639-86-4) + (R)-N-carbethoxy-2-aminopropanoic acid (148731-47-9)

Guidance literature:

Reference yield:

→ N-ethoxycarbonyl-L-alanine (16639-86-4)

Guidance literature:

upstream raw materials:

L-alanin

chloroformic acid ethyl ester

Downstream raw materials:

(S)-3-Ethoxycarbonylamino-N-<(S)-α-methylbenzyl>butanamid

[(S)-2-Hydroxy-1-methyl-2-(2,4,6-trimethyl-phenyl)-ethyl]-carbamic acid ethyl ester

[(S)-2-Hydroxy-2-(2-methoxy-phenyl)-1-methyl-ethyl]-carbamic acid ethyl ester

[(S)-1-Methyl-2-oxo-2-(2,4,6-trimethyl-phenyl)-ethyl]-carbamic acid ethyl ester