chempirical

Boc-L-alanine

C8H15NO4CAS 15761-38-3189.21 g/mol

Open in Covalent MOL file
NHOOOHO
Carboxylic acid

Properties

Molecular formula
C8H15NO4
Molar mass
189.21 g/mol
Exact mass
189.1001 Da
Melting point
82–83 °C
logP
1.19Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
15761-38-3
SMILES
C[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
QVHJQCGUWFKTSE-YFKPBYRVSA-N
InChI
InChI=1S/C8H15NO4/c1-5(6(10)11)9-7(12)13-8(2,3)4/h5H,1-4H3,(H,9,12)(H,10,11)/t5-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Alanine, N-carboxy-, N-tert-butyl ester, L-
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-alanine
  • N-(tert-Butyloxycarbonyl)-L-alanine
  • (tert-Butoxycarbonyl)alanine
  • N-(tert-Butoxycarbonyl)alanine
  • tert-Butoxycarbonyl-L-alanine
  • (tert-Butyloxycarbonyl)-L-alanine
  • N-(tert-Butoxycarbonyl)-(S)-alanine
  • N-tert-Butyloxycarbonylalanine
  • (S)-2-(N-tert-Butoxycarbonyl)aminopropionic acid
  • N-tert-BOC-(S)-alanine
  • N-(tert-Butoxycarbonyl)-L-alanine
  • N-t-BOC-L-alanine
  • N-BOC-L-alanine
  • (2S)-2-[(tert-Butoxycarbonyl)amino]propanoic acid
  • (S)-2-[(tert-Butoxycarbonyl)amino]propionic acid
  • N-Boc-alanine
  • (S)-2-[(tert-Butoxycarbonyl)amino]propanoic acid
  • (2S)-2-tert-Butoxycarbonylaminopropanoic acid
  • (2S)-2-[(2-Methylpropan-2-yl)oxycarbonylamino]propanoic acid

Work with Boc-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

N-[(1,1-Dimethylethoxy)carbonyl]-L-alanyl-L-alanine27317-69-785 % similar Boc-L-valine13734-41-367 % similar N-tert-Butoxycarbonyl-L-tert-leucine62965-35-964 % similar N-tert-Butoxycarbonyl-L-threonine2592-18-963 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-463 % similar Boc-L-leucine13139-15-662 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-262 % similar tert-Butoxycarbonyl-D-leucine16937-99-862 % similar

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

Same formula

[(tert-Butoxycarbonyl)(methyl)amino]acetic acid13734-36-6 N-(Methoxycarbonyl)-3-methyl-L-valine162537-11-3 4-(1,1-Dimethylethyl) hydrogen L-aspartate3057-74-7 Boc-β-alanine3303-84-2 Diethyl iminodiacetate6290-05-7 Boc-D-alanine7764-95-6 Castanospermine79831-76-8

Elsewhere

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