chempirical

Benzyloxycarbonyl-L-leucine

C14H19NO4CAS 2018-66-8265.31 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C14H19NO4
Molar mass
265.31 g/mol
Exact mass
265.1314 Da
logP
2.62Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
2018-66-8
SMILES
CC(C)C[C@H](N=C(O)OCc1ccccc1)C(=O)O
InChIKey
USPFMEKVPDBMCG-LBPRGKRZSA-N
InChI
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1

Weigh it out

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

Names and synonyms

20 names · show all
  • L-Leucine, N-[(phenylmethoxy)carbonyl]-
  • Leucine, N-carboxy-, N-benzyl ester, L-
  • Leucine, N-carboxy-, N-benzyl ester
  • N-[(Phenylmethoxy)carbonyl]-L-leucine
  • (Carbobenzoxy)leucine
  • N-Carbobenzoxy-L-leucine
  • N-Carboxy-L-leucine N-benzyl ester
  • N-(Benzyloxycarbonyl)leucine
  • N-(Benzyloxycarbonyl)-L-leucine
  • (Benzyloxycarbonyl)leucine
  • Carbobenzoxy-L-leucine
  • N-Carbobenzyloxy-L-leucine
  • (Carbobenzyloxy)-L-leucine
  • N-(Carbobenzoxy)leucine
  • L-N-(Benzyloxycarbonyl)leucine
  • L-(Carbobenzyloxy)leucine
  • CBZ-L-leucine
  • NSC 60039
  • (2S)-2-[[(Benzyloxy)carbonyl]amino]-4-methylpentanoic acid
  • (2S)-4-Methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Work with Benzyloxycarbonyl-L-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Cbz-D-leucine28862-79-5Enantiomer N-Carbobenzoxy-dl-leucine3588-60-1Stereo not defined N-Benzyloxycarbonyl-L-leucine dicyclohexylamine salt53363-87-4Salt Z-D-Leu-OH.DCHA7662-58-0Salt, enantiomer

Similar compounds

(2S)-2-(((Phenylmethoxy)carbonyl)amino)butanoic acid42918-86-573 % similar Benzyloxycarbonyl-L-phenylalanine1161-13-373 % similar N-(Benzyloxycarbonyl)-D-phenylalanine2448-45-573 % similar N-(Benzyloxycarbonyl)-dl-phenylalanine3588-57-673 % similar 4-(Phenylmethyl) hydrogen N-((phenylmethoxy)carbonyl)-L-aspartate3479-47-872 % similar N-(Benzyloxycarbonyl)-L-serine1145-80-871 % similar N-Benzyloxycarbonyl-DL-serine2768-56-171 % similar N-((Phenylmethoxy)carbonyl)norvaline21691-43-070 % similar

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

Same formula

(S)-N-Boc-3-amino-3-phenylpropanoic acid103365-47-5 Boc-L-phenylalanine13734-34-4 β-[[(1,1-Dimethylethoxy)carbonyl]amino]benzenepropanoic acid14676-01-8 N-Carbobenzoxy-dl-norleucine15027-13-1 (R)-N-Boc-3-amino-3-phenylpropanoic acid161024-80-2 N-tert-Butoxycarbonyl-D-phenylalanine18942-49-9 Diacetyl-N-phenyldiethanolamine19249-34-4 N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-8

Elsewhere

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