chempirical

Boc-L-leucine

C11H21NO4CAS 13139-15-6231.29 g/mol

Open in Covalent MOL file
NHOOOOH
Carboxylic acid

Properties

Molecular formula
C11H21NO4
Molar mass
231.29 g/mol
Exact mass
231.1471 Da
Melting point
67–72 °C
logP
2.21Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13139-15-6
SMILES
CC(C)C[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
MDXGYYOJGPFFJL-QMMMGPOBSA-N
InChI
InChI=1S/C11H21NO4/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t8-/m0/s1

Weigh it out

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

Names and synonyms

19 names · show all
  • L-Leucine, N-((1,1-dimethylethoxy)carbonyl)-
  • L-Leucine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Leucine, N-carboxy-, N-tert-butyl ester, L-
  • Leucine, N-carboxy-, N-tert-butyl ester
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-leucine
  • tert-Butoxycarbonyl-L-leucine
  • N-tert-Butoxycarbonylleucine
  • N-(tert-Butoxycarbonyl)-L-leucine
  • N-[(1,1-Dimethylethoxy)carbonyl]leucine
  • N-Carboxy-L-leucine N-tert-butyl ester
  • N-(α-tert-Butoxycarbonyl)leucine
  • BOC-L-Leu-OH
  • NSC 108690
  • (S)-2-[(tert-Butoxycarbonyl)amino]-4-methylpentanoic acid
  • (2S)-2-[(tert-Butoxycarbonyl)amino]-4-methylpentanoic acid
  • N-Boc-L-leucine
  • (S)-N-(t-Butoxycarbonyl)leucine
  • (2S)-2-[[(tert-Butoxy)carbonyl]amino]-4-methylpentanoic acid
  • (2S)-4-Methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Work with Boc-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.

Boc-Leu-OH monohydrate200936-87-4Hydrate Boc-D-leu-oh H2O200937-17-3Hydrate, enantiomer tert-Butoxycarbonyl-D-leucine16937-99-8Enantiomer

Similar compounds

Boc-L-serine3262-72-469 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-869 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-369 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-868 % similar N-(tert-Butoxycarbonyl)-L-aspartic acid13726-67-566 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-266 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-766 % similar 1,1-Dimethylethyl N-((1S)-3-methyl-1-(((2R)-2-methyl-2-oxiranyl)carbonyl)butyl)carbamate247068-82-264 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-D-alpha-T-butylglycine124655-17-0 tert-Butoxycarbonyl-L-isoleucine13139-16-7 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0 Boc-D-isoleucine55721-65-8

Elsewhere

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