(2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate

C₁₃H₁₇NO₅CAS 57224-63-2267.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ester

Properties

Molecular formula: C₁₃H₁₇NO₅
Molar mass: 267.28 g/mol
Exact mass: 267.1107 Da
logP: 0.84Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 5
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

57224-63-2

SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)OCC1=CC=CC=C1)O

InChIKey

OPZWAOJFQFYYIX-KOLCDFICSA-N

InChI

InChI=1S/C13H17NO5/c1-9(15)11(12(16)18-2)14-13(17)19-8-10-6-4-3-5-7-10/h3-7,9,11,15H,8H2,1-2H3,(H,14,17)/t9-,11+/m1/s1

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Names and synonyms

1 names

N-Carbobenzyloxy-L-threonine methyl ester

Work with (2S,3R)-Methyl 2-(((benzyloxy)carbonyl)amino)-3-hydroxybutanoate

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-D-Thr-oh80384-27-671 % similar Z-Ala-ome28819-05-868 % similar Z-Asp-ome4668-42-263 % similar N-Benzoyl-L-threonine methyl ester79893-89-361 % similar Z-Glu-ome5672-83-361 % similar O-tert-Butyl-N-carbobenzoxy-L-serine methyl ester1872-59-959 % similar (+/-)-Benzyloxycarbonyl-alpha-phosphonoglycine trimethyl ester88568-95-057 % similar Cbz-D-valine1685-33-257 % similar

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

Same formula

α-[[(1,1-Dimethylethoxy)carbonyl]amino]-4-hydroxybenzeneacetic acid53249-34-6

Elsewhere

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