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Home > Imidazoles > 436811-13-1
436811-13-1 | 2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
CAS No: 436811-13-1 Catalog No: AG00D9DJ MDL No:MFCD03006441
Product Description
Catalog Number:
AG00D9DJ
Chemical Name:
2-(2,5-DIOXO-HEXAHYDRO-IMIDAZO[4,5-D]IMIDAZOL-1-YL)-PROPIONIC ACID
CAS Number:
436811-13-1
MDL Number:
MFCD03006441
IUPAC Name:
2-(2,5-dioxo-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazol-4-yl)propanoic acid
InChI:
InChI=1S/C7H10N4O4/c1-2(5(12)13)11-4-3(9-7(11)15)8-6(14)10-4/h2-4H,1H3,(H,9,15)(H,12,13)(H2,8,10,14)
InChI Key:
RTILMVAHPIJRJE-UHFFFAOYSA-N
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.07g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
214.181g/mol
Monoisotopic Mass:
214.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| 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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