Free Chemical Databases
-
[Synonyms]
NSC32827
[Structure]
[ Properties Computed from Structure]
Molecular Weight 173.2096 [g/mol] Molecular Formula C8H15NO3 XLogP -1.8 H-Bond Donor 2 H-Bond Acceptor 3 Rotatable Bond Count 3 Tautomer Count 2 Exact Mass 173.105193 MonoIsotopic Mass 173.105193 Topological Polar Surface Area 66.4 Heavy Atom Count 12 Formal Charge 0 Complexity 201 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: 2-acetamido-2,3-dimethylbutanoic acid
Canonical SMILES: CC(C)C(C)(C(=O)O)NC(=O)C
InChI: InChI=1/C8H15NO3/c1-5(2)8(4,7(11)12)9-6(3)10/h5H,1-4H3,(H,9,10)(H,11,
12)/f/h9,11H
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