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Home Aminos 4-[(4-Methyl-2-pyridinyl)amino]-4-oxobutanoic acid

4-[(4-Methyl-2-pyridinyl)amino]-4-oxobutanoic acid

CAS No.:
186320-23-0
Catalog Number:
AG007SCE
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG007SCE
Chemical Name:
4-[(4-Methyl-2-pyridinyl)amino]-4-oxobutanoic acid
CAS Number:
186320-23-0
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD00030928
IUPAC Name:
4-[(4-methylpyridin-2-yl)amino]-4-oxobutanoic acid
InChI:
InChI=1S/C10H12N2O3/c1-7-4-5-11-8(6-7)12-9(13)2-3-10(14)15/h4-6H,2-3H2,1H3,(H,14,15)(H,11,12,13)
InChI Key:
AZQWEIGFMCBMAO-UHFFFAOYSA-N
SMILES:
Cc1cc(NC(=O)CCC(=O)O)ncc1
Properties
Complexity:
243  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.085g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
79.3A^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