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18999-45-6 | 1H-Imidazole-1-propanoic acid
CAS No: 18999-45-6 Catalog No: AG002E77 MDL No:MFCD02731119
Product Description
Catalog Number:
AG002E77
Chemical Name:
1H-Imidazole-1-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 |
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