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Home > Imidazoles > 72338-58-0
72338-58-0 | 4-IMIDAZOL-1-YL-BUTYRIC ACID
CAS No: 72338-58-0 Catalog No: AG00FB2B MDL No:MFCD01721735
Product Description
Catalog Number:
AG00FB2B
Chemical Name:
4-IMIDAZOL-1-YL-BUTYRIC ACID
CAS Number:
72338-58-0
Molecular Formula:
C7H10N2O2
Molecular Weight:
154.1665
MDL Number:
MFCD01721735
IUPAC Name:
4-imidazol-1-ylbutanoic acid
InChI:
InChI=1S/C7H10N2O2/c10-7(11)2-1-4-9-5-3-8-6-9/h3,5-6H,1-2,4H2,(H,10,11)
InChI Key:
ZCWMZLARYIDEEZ-UHFFFAOYSA-N
SMILES:
OC(=O)CCCn1cncc1
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.074g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
154.169g/mol
Monoisotopic Mass:
154.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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 |
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