92570-01-9 Purity
96%
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Specification
The molecular formula of L-Valine,N-formyl-3-methyl is C7H13NO3.
The molecular weight of L-Valine,N-formyl-3-methyl is 159.18 g/mol.
The IUPAC name of L-Valine,N-formyl-3-methyl is (2S)-2-formamido-3,3-dimethylbutanoic acid.
The InChI of L-Valine,N-formyl-3-methyl is InChI=1S/C7H13NO3/c1-7(2,3)5(6(10)11)8-4-9/h4-5H,1-3H3,(H,8,9)(H,10,11)/t5-/m1/s1.
The InChIKey of L-Valine,N-formyl-3-methyl is WVCGTXBZDLZEDU-RXMQYKEDSA-N.
The canonical SMILES of L-Valine,N-formyl-3-methyl is CC(C)(C)C(C(=O)O)NC=O.
The computed properties of L-Valine,N-formyl-3-methyl include molecular weight, XLogP3-AA, hydrogen bond donor count, hydrogen bond acceptor count, rotatable bond count, exact mass, monoisotopic mass, topological polar surface area, heavy atom count, formal charge, complexity, isotope atom count, defined atom stereocenter count, undefined atom stereocenter count, defined bond stereocenter count, undefined bond stereocenter count, covalently-bonded unit count, and compound is canonicalized.
The XLogP3-AA value of L-Valine,N-formyl-3-methyl is 0.9.
L-Valine,N-formyl-3-methyl has 2 hydrogen bond donor counts.
L-Valine,N-formyl-3-methyl has 3 hydrogen bond acceptor counts.