Home Other Building Blocks methyl 3-(2-methyl-1H-imidazol-1-yl)propanoate

methyl 3-(2-methyl-1H-imidazol-1-yl)propanoate

CAS No.:
457957-92-5
Catalog Number:
AG019UE3
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
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Product Description
Catalog Number:
AG019UE3
Chemical Name:
methyl 3-(2-methyl-1H-imidazol-1-yl)propanoate
CAS Number:
457957-92-5
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.1931
MDL Number:
MFCD02972826
IUPAC Name:
methyl 3-(2-methylimidazol-1-yl)propanoate
InChI:
InChI=1S/C8H12N2O2/c1-7-9-4-6-10(7)5-3-8(11)12-2/h4,6H,3,5H2,1-2H3
InChI Key:
JMVWOVMCISTHCU-UHFFFAOYSA-N
SMILES:
COC(=O)CCn1ccnc1C
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.196g/mol
Monoisotopic Mass:
168.09g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties