chempirical

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

C13H25NO5CAS 13734-40-2275.34 g/mol

Open in Covalent MOL file
ONHOOOOH
Carboxylic acidEther

Properties

Molecular formula
C13H25NO5
Molar mass
275.34 g/mol
Exact mass
275.1733 Da
logP
2.37Crippen 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
13734-40-2
SMILES
C[C@@H](OC(C)(C)C)[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
LKRXXARJBFBMCE-BDAKNGLRSA-N
InChI
InChI=1S/C13H25NO5/c1-8(18-12(2,3)4)9(10(15)16)14-11(17)19-13(5,6)7/h8-9H,1-7H3,(H,14,17)(H,15,16)/t8-,9+/m1/s1

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

Names and synonyms

3 names
  • L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-
  • Butyric acid, 3-tert-butoxy-2-(carboxyamino)-, N-tert-butyl ester, L-
  • (2S,3R)-3-tert-Butoxy-2-[(tert-butoxycarbonyl)amino]butanoic acid

Work with N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-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-methyl-L-threonine48068-25-377 % similar Boc-L-valine13734-41-371 % similar N-tert-Butoxycarbonyl-L-threonine2592-18-968 % similar N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-468 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-763 % similar (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-462 % similar Boc-L-alanine15761-38-362 % similar Boc-D-alanine7764-95-662 % similar

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

Elsewhere

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