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

C₁₆H₂₃NO₅CAS 1872-59-9309.36 g/mol

Open in Covalent MOL file

Carbamate Ester Ether

Properties

Molecular formula: C₁₆H₂₃NO₅
Molar mass: 309.36 g/mol
Exact mass: 309.1576 Da
logP: 2.27Crippen estimate
Polar surface area: 73.9 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

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

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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

Z-Ser(tos)-ome1492-52-060 % similar N-Boc-3-iodo-L-alanine benzyl ester108957-20-658 % similar Boc-D-ser-obzl141527-78-858 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-854 % similar Boc-tyr-obzl19391-35-653 % similar L-N-Cbz-3-N-boc-amino-alanine16947-84-553 % similar Boc-ser(bzl)-osu13650-73-251 % similar 9-Fluorenylmethyloxycarbonyl-D-Ser(t-butyl)-OH128107-47-148 % similar

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

Same formula

N-tert-Butoxycarbonyl-O-benzylthreonine15260-10-3 N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-L-tyrosine76757-91-0 N-[(1,1-Dimethylethoxy)carbonyl]-O-ethyl-D-tyrosine76757-92-1

Elsewhere

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