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GLUTARANILIC ACID

CAS No.:
5414-99-3
Catalog Number:
AG003QRR
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
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Product Description
Catalog Number:
AG003QRR
Chemical Name:
GLUTARANILIC ACID
CAS Number:
5414-99-3
Molecular Formula:
C11H13NO3
Molecular Weight:
207.2258
MDL Number:
MFCD00021788
IUPAC Name:
5-anilino-5-oxopentanoic acid
InChI:
InChI=1S/C11H13NO3/c13-10(7-4-8-11(14)15)12-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,12,13)(H,14,15)
InChI Key:
NUDGFGBJFZEEEJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)CCCC(=O)O
NSC Number:
11008
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
207.229g/mol
Monoisotopic Mass:
207.09g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.4A^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
Rational design of an indolebutanoic acid derivative as a novel aldose reductase inhibitor based on docking and 3D QSAR studies of phenethylamine derivatives. Journal of medicinal chemistry 20031218
Properties