chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine

C11H21NO4CAS 55674-63-0231.29 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
logP
2.36Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
5
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
55674-63-0
SMILES
CCCC[C@@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
ZIOCIQJXEKFHJO-MRVPVSSYSA-N
InChI
InChI=1S/C11H21NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h8H,5-7H2,1-4H3,(H,12,15)(H,13,14)/t8-/m1/s1

Weigh it out

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

Names and synonyms

7 names
  • D-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-
  • N-tert-Butoxycarbonyl-D-norleucine
  • N-BOC-D-norleucine
  • Boc-D-norleucine
  • (R)-2-[(tert-Butoxycarbonyl)amino]hexanoic acid
  • (2R)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]hexanoic acid
  • (2R)-2-[[(tert-Butoxy)carbonyl]amino]hexanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine

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-tert-Butoxycarbonyl-L-norleucine6404-28-0Enantiomer L-Norleucine, N-[(1,1-dimethylethoxy)carbonyl]-, compd. with N-cyclohexylcyclohexanamine (1:1)21947-32-0Salt, enantiomer

Similar compounds

Epsilon-tert-Butyloxycarbonyl-lysine13734-28-672 % similar N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-271 % similar (2S)-2-[[(1,1-Dimethylethoxy)carbonyl]amino]butanoic acid34306-42-870 % similar 5-(1,1-Dimethylethyl) hydrogen N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate13726-84-669 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-serine13734-38-868 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-D-serine86123-95-767 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N6-formyl-L-lysine2483-47-866 % similar Boc-L-methionine2488-15-566 % 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 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 Boc-D-isoleucine55721-65-8

Elsewhere

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