chempirical

N-Benzoyl-dl-leucine

C13H17NO3CAS 17966-67-5235.28 g/mol

Open in Covalent MOL file
NHOOOH
Carboxylic acid

Properties

Molecular formula
C13H17NO3
Molar mass
235.28 g/mol
Exact mass
235.1208 Da
Melting point
135–137 °C
logP
2.49Crippen estimate
Polar surface area
69.9 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
5

Identifiers

CAS number
17966-67-5
SMILES
CC(C)CC(N=C(O)c1ccccc1)C(=O)O
InChIKey
POLGZPYHEPOBFG-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO3/c1-9(2)8-11(13(16)17)14-12(15)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,14,15)(H,16,17)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Leucine, N-benzoyl-
  • Leucine, N-benzoyl-, DL-
  • DL-Leucine, N-benzoyl-
  • N-Benzoylleucine
  • Benzoyl-DL-leucine
  • DL-N-Benzoylleucine
  • DL-bz-leucine
  • NSC 164029
  • 2-Benzamido-4-methylpentanoicacid
  • 2-Benzoylamino-4-methyl-pentanoic acid

Work with N-Benzoyl-dl-leucine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Benzoyl-L-phenylalanine2566-22-567 % similar N-Benzoyl-dl-phenylalanine2901-76-067 % similar Benzyloxycarbonyl-L-leucine2018-66-864 % similar N-Benzoyl-dl-alanine1205-02-362 % similar N-Benzoyl-L-alanine2198-64-362 % similar Ubenimex58970-76-657 % similar N-Acetyl-L-leucine1188-21-255 % similar 2-Hydroxyhippuric acid16555-77-455 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-0 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-5 Eutylone802855-66-9 N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook