Boc-D-thr(tbu)-oh

C13H25NO5CAS 201217-86-9275.34 g/mol

Open in Covalent MOL file
OOHNHOOO
CarbamateCarboxylic acidEther

Properties

Molecular formula
C13H25NO5
Molar mass
275.34 g/mol
Exact mass
275.1733 Da
logP
2.17Crippen estimate
Polar surface area
84.9 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4
Stereocentres
S, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
201217-86-9
SMILES
C[C@@H]([C@H](C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C
InChIKey
LKRXXARJBFBMCE-DTWKUNHWSA-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+/m0/s1

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Names and synonyms

1 names
  • (2R,3S)-3-(tert-Butoxy)-2-((tert-butoxycarbonyl)amino)butanoic acid

Work with Boc-D-thr(tbu)-oh

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.

(2S,3R)-3-(tert-Butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid13734-40-2Enantiomer

Similar compounds

Boc-D-valine22838-58-071 % similar Boc-dl-valine54895-12-471 % similar (S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-965 % similar Boc-D-cyclopropylglycine609768-49-265 % similar Boc-D-isoleucine55721-65-863 % similar Boc-L-cyclopentylglycine109183-72-462 % similar Boc-dl-alanine3744-87-462 % similar Fmoc-O-tert-butyl-D-threonine138797-71-461 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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