chempirical

N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine

C10H19NO5CAS 48068-25-3233.26 g/mol

Open in Covalent MOL file
ONHOOOHO
Carboxylic acidEther

Properties

Molecular formula
C10H19NO5
Molar mass
233.26 g/mol
Exact mass
233.1263 Da
logP
1.20Crippen estimate
Polar surface area
88.3 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
R, Sin SMILES atom order

Identifiers

CAS number
48068-25-3
SMILES
CO[C@H](C)[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
VWSUOKFUIPMDDX-RQJHMYQMSA-N
InChI
InChI=1S/C10H19NO5/c1-6(15-5)7(8(12)13)11-9(14)16-10(2,3)4/h6-7H,1-5H3,(H,11,14)(H,12,13)/t6-,7+/m1/s1

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Names and synonyms

3 names
  • L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-methyl-
  • N-tert-Butyloxycarbonyl-O-methyl-L-threonine
  • (2S,3R)-2-(tert-Butoxycarbonylamino)-3-methoxybutanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine

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]-O-(1,1-dimethylethyl)-L-threonine13734-40-277 % similar Boc-L-valine13734-41-369 % similar N-tert-Butoxycarbonyl-L-threonine2592-18-966 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-466 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-761 % similar (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-460 % similar N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-360 % similar Boc-L-alanine15761-38-360 % similar

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

Same formula

N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-1 T-Boc-N-amido-peg1-acid1260092-44-1 N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-3

Elsewhere

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