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Home Other Building Blocks 3-(1H-Imidazol-1-yl)propanoic acid

3-(1H-Imidazol-1-yl)propanoic acid

CAS No.:
18999-45-6
Catalog Number:
AG002E77
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
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Product Description
Catalog Number:
AG002E77
Chemical Name:
3-(1H-Imidazol-1-yl)propanoic acid
CAS Number:
18999-45-6
Molecular Formula:
C6H8N2O2
Molecular Weight:
140.1399
MDL Number:
MFCD02731119
IUPAC Name:
3-imidazol-1-ylpropanoic acid
InChI:
InChI=1S/C6H8N2O2/c9-6(10)1-3-8-4-2-7-5-8/h2,4-5H,1,3H2,(H,9,10)
InChI Key:
VSFNAZLYGOOSEY-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1cncc1
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.142g/mol
Monoisotopic Mass:
140.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Development of imidazole alkanoic acids as mGAT3 selective GABA uptake inhibitors. European journal of medicinal chemistry 20110501
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis and biological activity of analogues of the antidiabetic/antiobesity agent 3-guanidinopropionic acid: discovery of a novel aminoguanidinoacetic acid antidiabetic agent. Journal of medicinal chemistry 20010412
Properties