Boc-val-ome

C₁₁H₂₁NO₄CAS 58561-04-9231.29 g/mol

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Carbamate Ester

Properties

Molecular formula: C₁₁H₂₁NO₄
Molar mass: 231.29 g/mol
Exact mass: 231.1471 Da
logP: 1.71Crippen estimate
Polar surface area: 64.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 3
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

58561-04-9

SMILES

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

InChIKey

XCJLIYKAMLUDGN-QMMMGPOBSA-N

InChI

InChI=1S/C11H21NO4/c1-7(2)8(9(13)15-6)12-10(14)16-11(3,4)5/h7-8H,1-6H3,(H,12,14)/t8-/m0/s1

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Names and synonyms

1 names

N-(tert-Butoxycarbonyl)-L-valine methyl ester

Work with Boc-val-ome

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

Methyl N-(tert-butoxycarbonyl)-L-threoninate79479-07-572 % similar Boc-L-alanine methyl ester28875-17-468 % similar Boc-D-alanine methyl ester91103-47-868 % similar Boc-leu-ome63096-02-663 % similar Boc-D-valine22838-58-062 % similar Boc-dl-valine54895-12-462 % similar Boc-3-iodo-D-alanine methyl ester170848-34-761 % similar Boc-L-serine methyl ester2766-43-061 % similar

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

Same formula

N-[(1,1-Dimethylethoxy)carbonyl]glycine 1,1-dimethylethyl ester111652-20-1 Boc-D-alpha-T-butylglycine124655-17-0 Boc-L-leucine13139-15-6 tert-Butoxycarbonyl-L-isoleucine13139-16-7 tert-Butoxycarbonyl-D-leucine16937-99-8 Boc-L-beta-homovaline183990-64-9 Boc-N-methyl-L-valine45170-31-8 N-[(1,1-Dimethylethoxy)carbonyl]-D-norleucine55674-63-0

Elsewhere

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