chempirical

1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate

C16H31NO8CAS 756525-91-4365.42 g/mol

Open in Covalent MOL file
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Carboxylic acidEther

Properties

Molecular formula
C16H31NO8
Molar mass
365.42 g/mol
Exact mass
365.2050 Da
logP
1.26Crippen estimate
Polar surface area
116.0 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
15

Identifiers

CAS number
756525-91-4
SMILES
CC(C)(C)OC(O)=NCCOCCOCCOCCOCCC(=O)O
InChIKey
YEIYIPDFZMLJQH-UHFFFAOYSA-N
InChI
InChI=1S/C16H31NO8/c1-16(2,3)25-15(20)17-5-7-22-9-11-24-13-12-23-10-8-21-6-4-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)

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Names and synonyms

6 names
  • 5,8,11,14-Tetraoxa-2-azaheptadecanedioic acid, 1-(1,1-dimethylethyl) ester
  • 3-[2-[2-[2-[2-(tert-Butoxycarbonylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
  • N-(tert-Butyloxycarbonyl)-15-amino-4,7,10,13-tetraoxapentanedecanoic acid
  • 2,2-Dimethyl-4-oxo-3,8,11,14,17-pentaoxa-5-azaicosan-20-oic acid
  • Triethylene glycol 2-(Boc-amino)ethyl ether 2-carboxyethyl ether
  • 15-(Boc-amino)-4,7,10,13-tetraoxapentadecanoic acid

Work with 1-(1,1-Dimethylethyl) 5,8,11,14-tetraoxa-2-azaheptadecanedioate

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

Polyethylene glycol 2-(tert-butoxycarbonylamino)ethyl 2-carboxylethyl ether187848-68-6100 % similar Boc-β-alanine3303-84-273 % similar 6-[(tert-Butoxycarbonyl)amino]hexanoic acid6404-29-166 % similar 1,1-Dimethylethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate139115-92-765 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-063 % similar N-(tert-Butoxycarbonyl)glycine4530-20-559 % similar T-Boc-N-amido-peg1-acid1260092-44-153 % similar N-Boc-ethylenediamine57260-73-853 % similar

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

Elsewhere

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