Methyl N-(tert-butoxycarbonyl)-L-threoninate

C₁₀H₁₉NO₅CAS 79479-07-5233.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate Ester

Properties

Molecular formula: C₁₀H₁₉NO₅
Molar mass: 233.26 g/mol
Exact mass: 233.1263 Da
logP: 0.43Crippen estimate
Polar surface area: 84.9 Å²
H-bond donors / acceptors: 2 / 5
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

79479-07-5

SMILES

C[C@H]([C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O

InChIKey

MZMWAPNVRMDIPS-RQJHMYQMSA-N

InChI

InChI=1S/C10H19NO5/c1-6(12)7(8(13)15-5)11-9(14)16-10(2,3)4/h6-7,12H,1-5H3,(H,11,14)/t6-,7+/m1/s1

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Work with Methyl N-(tert-butoxycarbonyl)-L-threoninate

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

Boc-val-ome58561-04-972 % similar Boc-L-alanine methyl ester28875-17-463 % similar Boc-D-alanine methyl ester91103-47-863 % similar Boc-L-serine methyl ester2766-43-060 % similar Boc-leu-ome63096-02-659 % similar Boc-3-iodo-D-alanine methyl ester170848-34-757 % similar Methyl cis-3-(boc-amino)C...142733-63-955 % similar (4S)-4-(((tert-Butoxy)carbonyl)amino)-5-methoxy-5-oxopentanoic acid72086-72-754 % similar

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

Same formula

N-Boc-(S)-2-amino-3-hydroxy-3-methylbutanoic acid102507-13-1 T-Boc-N-amido-peg1-acid1260092-44-1 (R)-Methyl 2-((tert-butoxycarbonyl)amino)-3-hydroxy-2-methylpropanoate188476-28-0 N-[(1,1-Dimethylethoxy)carbonyl]-O-methyl-L-threonine48068-25-3 N,O-Bis(tert-butoxycarbonyl)hydroxylamine85006-25-3

Elsewhere

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