Home Carbonyls Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-

Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-

CAS No.:
1242137-20-7
Catalog Number:
AG000LNY
Molecular Formula:
C11H13FN2O3
Molecular Weight:
240.2309
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Product Description
Catalog Number:
AG000LNY
Chemical Name:
Alanine, N-[4-(aminocarbonyl)-3-fluorophenyl]-2-methyl-
CAS Number:
1242137-20-7
Molecular Formula:
C11H13FN2O3
Molecular Weight:
240.2309
MDL Number:
MFCD29039519
IUPAC Name:
2-(4-carbamoyl-3-fluoroanilino)-2-methylpropanoic acid
InChI:
InChI=1S/C11H13FN2O3/c1-11(2,10(16)17)14-6-3-4-7(9(13)15)8(12)5-6/h3-5,14H,1-2H3,(H2,13,15)(H,16,17)
InChI Key:
XBQJUHYDJFUQBE-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(cc1F)NC(C(=O)O)(C)C
Properties
Complexity:
320  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.091g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
240.234g/mol
Monoisotopic Mass:
240.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties