Home Carbonyls N-(anilinocarbonyl)alanine

N-(anilinocarbonyl)alanine

CAS No.:
33653-68-8
Catalog Number:
AG00I6MO
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
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Product Description
Catalog Number:
AG00I6MO
Chemical Name:
N-(anilinocarbonyl)alanine
CAS Number:
33653-68-8
Molecular Formula:
C10H12N2O3
Molecular Weight:
208.2139
MDL Number:
MFCD00483853
IUPAC Name:
2-(phenylcarbamoylamino)propanoic acid
InChI:
InChI=1S/C10H12N2O3/c1-7(9(13)14)11-10(15)12-8-5-3-2-4-6-8/h2-7H,1H3,(H,13,14)(H2,11,12,15)
InChI Key:
SWIUEMANOAFYHY-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)NC(=O)Nc1ccccc1
Properties
Complexity:
237  
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:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
208.217g/mol
Monoisotopic Mass:
208.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
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