Boc-beta-ala-osu

C₁₂H₁₈N₂O₆CAS 32703-87-0286.28 g/mol

Open in Covalent MOL file

Amide Carbamate Lactam

Properties

Molecular formula: C₁₂H₁₈N₂O₆
Molar mass: 286.28 g/mol
Exact mass: 286.1165 Da
logP: 0.51Crippen estimate
Polar surface area: 102.0 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 4

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

32703-87-0

SMILES

CC(C)(C)OC(=O)NCCC(=O)ON1C(=O)CCC1=O

InChIKey

TVWATMRQKCTKAU-UHFFFAOYSA-N

InChI

InChI=1S/C12H18N2O6/c1-12(2,3)19-11(18)13-7-6-10(17)20-14-8(15)4-5-9(14)16/h4-7H2,1-3H3,(H,13,18)

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Work with Boc-beta-ala-osu

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

6-(Boc-amino)caproic acid N-succinimidyl ester51513-80-580 % similar N,N'-Di-boc-L-lysine hydroxysuccinimide ester30189-36-759 % similar N-Alpha-t-Butyloxycarbonyl-L-aspartic acid alpha-succinimidyl beta-t-butyl ester50715-50-954 % similar 1-(2-N-Boc-aminoethyl)piperazine140447-78-554 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-853 % similar tert-Butyl succinimidyl carbonate13139-12-351 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-150 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-250 % similar

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

Same formula

tert-Butyloxycarbonyl-L-alanine-N-hydroxysuccinimide3392-05-0

Elsewhere

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