Boc-D-thr(tbu)-oh

C₁₃H₂₅NO₅CAS 201217-86-9275.34 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₃H₂₅NO₅
Molar mass: 275.34 g/mol
Exact mass: 275.1733 Da
logP: 2.17Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4
Stereocentres: S, Rin SMILES atom order

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

Weigh it out

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

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

Similar compounds

(S)-tert-Butoxycarbonylamino-cyclopropyl-acetic acid155976-13-965 % similar Boc-L-cyclopentylglycine109183-72-462 % similar Fmoc-O-tert-butyl-D-threonine138797-71-461 % similar Fmoc-D-allo-thr(tbu)-oh170643-02-461 % similar Fmoc-allo-thr(tbu)-oh201481-37-061 % similar N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-157 % similar Boc-L-3,3-diphenylalanine138662-63-257 % similar Boc-D-alpha-T-butylglycine124655-17-056 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]-O-(1,1-dimethylethyl)-L-threonine13734-40-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook