chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-L-alanine

C11H20N2O5CAS 27317-69-7260.29 g/mol

Open in Covalent MOL file
NHONHOOOHO
Carboxylic acid

Properties

Molecular formula
C11H20N2O5
Molar mass
260.29 g/mol
Exact mass
260.1372 Da
Melting point
132–133 °C
logP
1.53Crippen estimate
Polar surface area
111.7 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
4
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
27317-69-7
SMILES
C[C@H](N=C(O)[C@H](C)N=C(O)OC(C)(C)C)C(=O)O
InChIKey
BZNDDHWTEVCBAD-BQBZGAKWSA-N
InChI
InChI=1S/C11H20N2O5/c1-6(8(14)12-7(2)9(15)16)13-10(17)18-11(3,4)5/h6-7H,1-5H3,(H,12,14)(H,13,17)(H,15,16)/t6-,7-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl-
  • Alanine, N-(N-carboxy-L-alanyl)-, N-tert-butyl ester, L-
  • L-Alanine, N-[N-[(1,1-dimethylethoxy)carbonyl]-L-alanyl]-
  • tert-Butoxycarbonyl-L-alanyl-L-alanine
  • N-tert-Butoxycarbonylalanylalanine
  • N-tert-Butoxycarbonyl-L-alanyl-L-alanine
  • NSC 334362
  • N-Boc-L-alanyl-L-alanine

Work with N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-L-alanine

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

Boc-L-alanine15761-38-385 % similar Boc-D-alanine7764-95-685 % similar Boc-L-valine13734-41-359 % similar N-tert-Butoxycarbonyl-L-tert-leucine62965-35-956 % similar N-tert-Butoxycarbonyl-L-threonine2592-18-956 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-456 % similar Boc-L-leucine13139-15-655 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-255 % similar

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

Elsewhere

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