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Home Other Building Blocks 2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]formamido}acetic acid

2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]formamido}acetic acid

CAS No.:
794582-37-9
Catalog Number:
AG019NO0
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
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Product Description
Catalog Number:
AG019NO0
Chemical Name:
2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]formamido}acetic acid
CAS Number:
794582-37-9
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
MDL Number:
MFCD06368072
IUPAC Name:
2-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]amino]acetic acid
InChI:
InChI=1S/C15H16N2O3/c1-10-3-4-11(2)17(10)13-7-5-12(6-8-13)15(20)16-9-14(18)19/h3-8H,9H2,1-2H3,(H,16,20)(H,18,19)
InChI Key:
RZJNLLRJLBSDKO-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)n1c(C)ccc1C)NCC(=O)O
Properties
Complexity:
354  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
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