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627055-02-1

627055-02-1 | 2-(2,5-DIMETHYL-PYRROL-1-YL)-3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID

CAS No: 627055-02-1 Catalog No: AG00EAVH MDL No:

Product Description

Catalog Number:
AG00EAVH
Chemical Name:
2-(2,5-DIMETHYL-PYRROL-1-YL)-3-(1H-IMIDAZOL-4-YL)-PROPIONIC ACID
CAS Number:
627055-02-1
IUPAC Name:
2-(2,5-dimethylpyrrol-1-yl)-3-(1H-imidazol-5-yl)propanoic acid
InChI:
InChI=1S/C12H15N3O2/c1-8-3-4-9(2)15(8)11(12(16)17)5-10-6-13-7-14-10/h3-4,6-7,11H,5H2,1-2H3,(H,13,14)(H,16,17)
InChI Key:
GCJOIMVYIJUXHG-UHFFFAOYSA-N

Properties

Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  

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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