17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid

C₁₂H₂₄N₂O₇CAS 1143516-05-5308.33 g/mol

Open in Covalent MOL file

Carboxylic acid Ether Primary amine

Properties

Molecular formula: C₁₂H₂₄N₂O₇
Molar mass: 308.33 g/mol
Exact mass: 308.1584 Da
logP: -0.95Crippen estimate
Polar surface area: 132.8 Å²
H-bond donors / acceptors: 3 / 7
Rotatable bonds: 15

Identifiers

CAS number

1143516-05-5

SMILES

NCCOCCOCC(O)=NCCOCCOCC(=O)O

InChIKey

YQZVQKYXWPIKIX-UHFFFAOYSA-N

InChI

InChI=1S/C12H24N2O7/c13-1-3-18-5-7-20-9-11(15)14-2-4-19-6-8-21-10-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)

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

Names and synonyms

1 names

3,6,12,15-Tetraoxa-9-azaheptadecanoic acid, 17-amino-10-oxo-

Work with 17-Amino-10-oxo-3,6,12,15-tetraoxa-9-azaheptadecanoic acid

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

2-(2-(2-Aminoethoxy)ethoxy)acetic acid hydrochloride134979-01-467 % similar 3-Morpholinone109-11-558 % similar 3,6,9-Trioxaundecanedioic acid13887-98-455 % similar 27-Amino-4,7,10,13,16,19,22,25-octaoxaheptacosanoic acid756526-04-254 % similar 2,2′-[1,2-Ethanediylbis(oxy)]bis[acetic acid]23243-68-752 % similar Polyethylene glycol bis(carboxymethyl) ether39927-08-752 % similar [2-(2-Methoxyethoxy)ethoxy]acetic acid16024-58-146 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-044 % similar

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

Elsewhere

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