O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester

C16H23NO5CAS 1872-59-9309.36 g/mol

Open in Covalent MOL file
OOONHOO
CarbamateEsterEther

Properties

Molecular formula
C16H23NO5
Molar mass
309.36 g/mol
Exact mass
309.1576 Da
logP
2.27Crippen estimate
Polar surface area
73.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
6
Stereocentres
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
1872-59-9
SMILES
CC(C)(C)OC[C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1
InChIKey
UMAXPCYVVRYQNO-ZDUSSCGKSA-N
InChI
InChI=1S/C16H23NO5/c1-16(2,3)22-11-13(14(18)20-4)17-15(19)21-10-12-8-6-5-7-9-12/h5-9,13H,10-11H2,1-4H3,(H,17,19)/t13-/m0/s1

Weigh it out

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

Names and synonyms

1 names
  • (S)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-(tert-butoxy)propanoate

Work with O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester

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-Alfa-Cbz-O-t-butyl-D-serine65806-90-871 % similar Boc-phe-ome51987-73-665 % similar Z-Asp-ome4668-42-264 % similar (S)-Benzyl (2-oxooxetan-3-YL)carbamate26054-60-464 % similar Z-Ala-ome28819-05-862 % similar Z-Glu-ome5672-83-362 % similar Z-Ser(tos)-ome1492-52-060 % similar (2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate57224-63-259 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-3 Boc-O-ethyl-L-tyrosine76757-91-0 Boc-D-tyr(et)-OH76757-92-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook