chempirical

N-tert-Butoxycarbonyl-L-threonine

C9H17NO5CAS 2592-18-9219.24 g/mol

Open in Covalent MOL file
OHNHOOOHO
AlcoholCarboxylic acid

Properties

Molecular formula
C9H17NO5
Molar mass
219.24 g/mol
Exact mass
219.1107 Da
Melting point
79–81 °C
logP
0.55Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
3
Stereocentres
R, Sin SMILES atom order

Hazards

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

Identifiers

CAS number
2592-18-9
SMILES
C[C@@H](O)[C@H](N=C(O)OC(C)(C)C)C(=O)O
InChIKey
LLHOYOCAAURYRL-RITPCOANSA-N
InChI
InChI=1S/C9H17NO5/c1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h5-6,11H,1-4H3,(H,10,14)(H,12,13)/t5-,6+/m1/s1

Weigh it out

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

Names and synonyms

14 names · show all
  • L-Threonine, N-[(1,1-dimethylethoxy)carbonyl]-
  • Threonine, N-carboxy-, N-tert-butyl ester, L-
  • Threonine, N-carboxy-, N-tert-butyl ester
  • N-[(1,1-Dimethylethoxy)carbonyl]-L-threonine
  • N-tert-Butyloxycarbonyl-L-threonine
  • L-N-(tert-Butoxycarbonyl)threonine
  • N-(tert-Butoxycarbonyl)threonine
  • N-α-tert-Butoxycarbonyl-L-threonine
  • N-α-tert-Butoxycarbonylthreonine
  • NSC 334305
  • N-BOC-L-Threonine
  • (2S,3R)-2-(tert-Butoxycarbonylamino)-3-hydroxybutanoic acid
  • (2S,3R)-2-tert-Butoxycarbonylamino-3-hydroxybutyric acid
  • Boc-L-threonine

Work with N-tert-Butoxycarbonyl-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

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.

N-[(1,1-Dimethylethoxy)carbonyl]-D-threonine55674-67-4Enantiomer

Similar compounds

Boc-L-valine13734-41-373 % similar (2S,3R)-3-(tert-Butoxy)-2-(((tert-butoxy)carbonyl)amino)butanoic acid13734-40-268 % similar N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-366 % similar tert-Butoxycarbonyl-L-isoleucine13139-16-764 % similar (αS)-α-[[(1,1-Dimethylethoxy)carbonyl]amino]cyclobutaneacetic acid155905-77-463 % similar tert-Butoxycarbonylalanine15761-38-363 % similar Boc-D-alanine7764-95-663 % similar N-(tert-Butoxycarbonyl)-L-cyclohexylglycine109183-71-362 % similar

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

Same formula

Boc-N-me-ser-oh101772-29-6 Boc-L-serine methyl ester2766-43-0 N-[(1,1-Dimethylethoxy)carbonyl]-L-homoserine41088-86-2 Boc-ser(me)-oh51293-47-1 (+)-Pantothenic acid79-83-4 N-Boc-alpha-methyl-D-serine84311-18-2 N-[(1,1-Dimethylethoxy)carbonyl]-2-methyl-L-serine84311-19-3

Elsewhere

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