Free Chemical Databases
-
[Synonyms]
NSC270571
67324-94-1
[Structure]
[ Properties Computed from Structure]
Molecular Weight 239.242863 [g/mol] Molecular Formula C12H14FNO3 XLogP -0.7 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 5 Tautomer Count 2 Exact Mass 239.095772 MonoIsotopic Mass 239.095772 Topological Polar Surface Area 66.4 Heavy Atom Count 17 Formal Charge 0 Complexity 283 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 1 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 3-(2-fluorophenyl)-2-(propanoylamino)propanoic acid
Canonical SMILES: CCC(=O)NC(CC1=CC=CC=C1F)C(=O)O
InChI: InChI=1/C12H14FNO3/c1-2-11(15)14-10(12(16)17)7-8-5-3-4-6-9(8)13/h3-6,
10H,2,7H2,1H3,(H,14,15)(H,16,17)/f/h14,16H
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