Tris[[2-(tert-butoxycarbonyl)ethoxy]methyl]methylamine

C₂₅H₄₇NO₉CAS 175724-30-8505.65 g/mol

Open in Covalent MOL file

Ester Ether Primary amine

Properties

Molecular formula: C₂₅H₄₇NO₉
Molar mass: 505.65 g/mol
Exact mass: 505.3251 Da
logP: 2.93Crippen estimate
Polar surface area: 132.6 Å²
H-bond donors / acceptors: 1 / 10
Rotatable bonds: 15

Identifiers

CAS number

175724-30-8

SMILES

CC(C)(C)OC(=O)CCOCC(COCCC(=O)OC(C)(C)C)(COCCC(=O)OC(C)(C)C)N

InChIKey

KPXODPHVWBQJEG-UHFFFAOYSA-N

InChI

InChI=1S/C25H47NO9/c1-22(2,3)33-19(27)10-13-30-16-25(26,17-31-14-11-20(28)34-23(4,5)6)18-32-15-12-21(29)35-24(7,8)9/h10-18,26H2,1-9H3

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Names and synonyms

1 names

tert-Butyl 3,3'-(2-amino-2-((3-tert-butoxy-3-oxopropoxy)methyl)propane-1,3-diyl)bis(oxy)dipropanoate

Work with Tris[[2-(tert-butoxycarbonyl)ethoxy]methyl]methylamine

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

Amino-peg1-T-butyl ester1260092-46-363 % similar tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-661 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-861 % similar tert-Butyl 3-(2-(2-hydroxyethoxy)ethoxy)propanoate133803-81-357 % similar tert-Butyl 12-hydroxy-4 7 10-trioxa-186020-66-657 % similar 1,3-Bis(1,1-dimethylethyl) propanedioate541-16-247 % similar 1,1-Dimethylethyl 4-bromobutanoate110661-91-146 % similar Mono-tert-butyl succinate15026-17-246 % similar

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

Elsewhere

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