5-(3-Amino-3-carboxypropylthio)pentanoic acid

Base Information

• Chemical Name: 5-(3-Amino-3-carboxypropylthio)pentanoic acid
• CAS No.: 88096-03-1
• Molecular Formula: C₈H₁₅NO₄S
• Molecular Weight: 221.277
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID00393247,DTXSID301007933
• Wikidata: Q82191941
• Pharos Ligand ID: 8Q3N3QY41XH4
• ChEMBL ID: CHEMBL211229
• Mol file: 88096-03-1.mol

Synonyms:(R,S)-5-(3-amino-3-carboxy-propylsulfanyl)-pentanoic acid;5-(3-amino-3-carboxypropylsulfanyl)pentanoic acid;5-ACPS-C5 acid

Chemical Property of 5-(3-Amino-3-carboxypropylthio)pentanoic acid

Chemical Property:

• PSA: 125.92000
• LogP: 1.08670
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 235.08782920
• Heavy Atom Count: 15
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 5-(3-Amino-3-carboxypropylthio)pentanoic acid

There total 3 articles about 5-(3-Amino-3-carboxypropylthio)pentanoic 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:

2-amino-4-mercaptobutyric acid (454-29-5) + Ethyl 4-bromobutyrate (2969-81-5) → S-γ-Carboxypropylhomocystein (88096-03-1)

Guidance literature:

2-amino-4-mercaptobutyric acid; Ethyl 4-bromobutyrate; With sodium carbonate; In ethanol; at 20 ℃; for 48h;

With sodium hydroxide; In ethanol; for 1h;

DOI:10.1021/jm050885v

Reference yield:

S-benzyl homocysteine (1017-76-1,3054-02-2) → S-γ-Carboxypropylhomocystein (88096-03-1)

Guidance literature:

With ammonia; sodium; nachfolgendes Behandeln mit 4-Brom-buttersaeure;

DOI:10.1021/jo01145a015

Reference yield:

→ S-γ-Carboxypropylhomocystein (88096-03-1)

Guidance literature:

Verb. IIIa, NaOH;

upstream raw materials:

S-benzyl homocysteine

2-amino-4-mercaptobutyric acid

Ethyl 4-bromobutyrate

Refernces