2-Pentanamidoacetic acid

Base Information

• Chemical Name: 2-Pentanamidoacetic acid
• CAS No.: 24003-66-5
• Molecular Formula: C7H13NO3
• Molecular Weight: 159.185
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID10406150
• Wikidata: Q82211046
• Metabolomics Workbench ID: 37504
• Mol file: 24003-66-5.mol

Synonyms:2-pentanamidoacetic acid;24003-66-5;Valerylglycine;2-(pentanoylamino)acetic Acid;N-Valerylglycine;Glycine, N-(1-oxopentyl)-;N-(1-OXOPENTYL)-GLYCINE;N-pentanoylglycine;N-valeryl glycine;N-valeryl-Glycine;N-n-Valerylglycine;2-pentanamidoaceticacid;glycine,n-(1-oxopentyl)-;SCHEMBL343398;DTXSID10406150;CHEBI:137527;NYZBWOSRZJKQAI-UHFFFAOYSA-N;MFCD01910091;AKOS000159540;HY-W141934;AS-58097;CS-0201725;FT-0704245;A817034;J-015308

Chemical Property of 2-Pentanamidoacetic acid

Chemical Property:

• Vapor Pressure: 7.01E-07mmHg at 25°C
• Refractive Index: 1.46
• Boiling Point: 381.6 ºC at 760 mmHg
• PKA: 3.60±0.10(Predicted)
• Flash Point: 184.6 ºC
• PSA: 66.40000
• Density: 1.1 g/cm³
• LogP: 0.76830
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 159.08954328
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98%Min ^*data from raw suppliers

N-Valerylglycine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)NCC(=O)O
• Uses: N-Pentanoylglycine is an acyl derivative of Glycine (G615990). The presence of N-Pentanoylglycine (among other metabolites) in urine is used in medicine to diagnose inborn errors of metabolism (such as mitochondrial fatty acid β-oxidation defects) through the use of liquid chromatography coupled with tandem mass spectrometry.

Technology Process of 2-Pentanamidoacetic acid

There total 3 articles about 2-Pentanamidoacetic 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:

glycine (56-40-6,18875-39-3,25718-94-9) + valeric acid (109-52-4) → 2-pentanoylaminoacetic acid (24003-66-5)

Guidance literature:

With adenosine monophosphate ligase SfaB from Streptomyces thioluteus; ATP; magnesium chloride; Cleland's reagent; In aq. buffer; at 30 ℃; for 6h; pH=8; Enzymatic reaction;

DOI:10.1002/anie.202010042

Reference yield:

n-valeryl chloride (638-29-9) + glycine (56-40-6,18875-39-3,25718-94-9) → 2-pentanoylaminoacetic acid (24003-66-5)

Guidance literature:

Reference yield:

→ 2-pentanoylaminoacetic acid (24003-66-5)

Guidance literature:

aus entspr. Saeurechlorid, Glycin;

DOI:10.1042/bj1150741

upstream raw materials:

n-valeryl chloride

glycine

valeric acid

Refernces

• 1、 -. "Antipsychotic drug". . . Retrieved 2008/06/13.
• 2、 Cole. "Deacylation of acylamino compounds other than penicillins by the cell-bound penicillin acylase of Escherichia coli.". . p. 741 - 745. Retrieved 2007/10/05.