(2S)-2-acetamido-5-oxopentanoic acid

Base Information

• Chemical Name: (2S)-2-acetamido-5-oxopentanoic acid
• CAS No.: 13074-21-0
• Molecular Formula: C₇H₁₁NO₄
• Molecular Weight: 173.169
• DSSTox Substance ID: DTXSID10926883
• Nikkaji Number: J37.498I
• Wikidata: Q27101848
• Metabolomics Workbench ID: 38905
• Mol file: 13074-21-0.mol

Synonyms:N-acetyl-L-glutamic acid gamma-semialdehyde

Chemical Property of (2S)-2-acetamido-5-oxopentanoic acid

Chemical Property:

• Vapor Pressure: 5.67E-10mmHg at 25°C
• Boiling Point: 466°Cat760mmHg
• Flash Point: 235.6°C
• PSA: 83.47000
• Density: 1.216g/cm³
• LogP: -0.05430
• XLogP3: -1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 173.06880783
• Heavy Atom Count: 12
• Complexity: 190

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-acetamido-5-oxopentanoic acid

There total 2 articles about (2S)-2-acetamido-5-oxopentanoic 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:

Nα-acetyl-S-ornithine (6205-08-9) → N-acetyl-L-glutamate 5-semialdehyde (13074-21-0)

Guidance literature:

With egg shell membrane; In aq. phosphate buffer; at 37 ℃; for 24h; pH=9; Enzymatic reaction;

DOI:10.1016/j.bbagen.2018.06.007

Reference yield:

N-acetyl-γ-glutamyl phosphate → N-acetyl-L-glutamate 5-semialdehyde (13074-21-0)

Guidance literature:

With NADPH; Kinetics; Enzymatic reaction;

DOI:10.1021/acs.biochem.5b00711

Reference yield:

N-acetyl-L-glutamate 5-semialdehyde (13074-21-0) → C12H16N2O4

Guidance literature:

Multi-step reaction with 2 steps

1: sodium cyanoborohydride / 2 h / 37 °C

2: hydrogenchloride; water / 10 h / 110 °C

With hydrogenchloride; water; sodium cyanoborohydride;

DOI:10.1016/j.bbagen.2018.06.007

upstream raw materials:

N^α-acetyl-S-ornithine

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