3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-

C₁₁H₂₁NO₆CAS 108466-89-3263.29 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Ether

Properties

Molecular formula: C₁₁H₂₁NO₆
Molar mass: 263.29 g/mol
Exact mass: 263.1369 Da
logP: 0.63Crippen estimate
Polar surface area: 94.1 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 8

Identifiers

CAS number

108466-89-3

SMILES

CC(C)(C)OC(=O)NCCOCCOCC(=O)O

InChIKey

OMBVJVWVXRNDSL-UHFFFAOYSA-N

InChI

InChI=1S/C11H21NO6/c1-11(2,3)18-10(15)12-4-5-16-6-7-17-8-9(13)14/h4-8H2,1-3H3,(H,12,15)(H,13,14)

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

Work with 3,8,11-Trioxa-5-azatridecan-13-oic acid, 2,2-dimethyl-4-oxo-

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

T-Boc-N-amido-peg1-acid1260092-44-177 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-268 % similar tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-261 % similar Boc-11-aminoundecanoic acid10436-25-658 % similar 3,6,9-Trioxaundecanedioic acid13887-98-451 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-851 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-149 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-749 % similar

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

Elsewhere

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