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Specification
The molecular formula of Dl-N-benzoyl-2-isobutylserine is C14H19NO4.
The molecular weight of Dl-N-benzoyl-2-isobutylserine is 265.30 g/mol.
The IUPAC name of Dl-N-benzoyl-2-isobutylserine is 2-benzamido-2-(hydroxymethyl)-4-methylpentanoic acid.
The InChI of Dl-N-benzoyl-2-isobutylserine is InChI=1S/C14H19NO4/c1-10(2)8-14(9-16,13(18)19)15-12(17)11-6-4-3-5-7-11/h3-7,10,16H,8-9H2,1-2H3,(H,15,17)(H,18,19).
The InChIKey of Dl-N-benzoyl-2-isobutylserine is FKUCELLBHQAFFX-UHFFFAOYSA-N.
The canonical SMILES of Dl-N-benzoyl-2-isobutylserine is CC(C)CC(CO)(C(=O)O)NC(=O)C1=CC=CC=C1.
The CAS number of Dl-N-benzoyl-2-isobutylserine is 52421-47-3.
The XLogP3-AA value of Dl-N-benzoyl-2-isobutylserine is 1.7.
There are 3 hydrogen bond donor counts in Dl-N-benzoyl-2-isobutylserine.
There are 6 rotatable bond counts in Dl-N-benzoyl-2-isobutylserine.