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

C10H19NO5CAS 79479-07-5233.26 g/mol

Open in Covalent MOL file
OONHOOOH
AlcoholCarbamateEster

Properties

Molecular formula
C10H19NO5
Molar mass
233.26 g/mol
Exact mass
233.1263 Da
logP
0.43Crippen estimate
Polar surface area
84.9 Ų
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.

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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

Weigh it out

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

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-D-ser-ome95715-85-860 % similar Boc-leu-ome63096-02-659 % similar Boc-3-iodo-D-alanine methyl ester170848-34-757 % similar Methyl (2R)-2-(((tert-butoxy)carbonyl)amino)-3-iodopropanoate93267-04-057 % 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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