Glycine, N,N'-ethylenebis(2-(o-hydroxyphenyl)-, dimethyl ester

HCID 56033

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Basic information

CAS: 90044-13-6
Standard SMILES: COC(=O)C(NCCNC(C(=O)OC)c1ccccc1O)c1ccccc1O
InChIKey: USRBZNLQBVIVDK-UHFFFAOYSA-N
Molecular formula: C20H24N2O6
Average molar mass: 388.4 g/mol
Monoisotopic mass: 388.16343649

Names & identifiers

Preferred name: Glycine, N,N'-ethylenebis(2-(o-hydroxyphenyl)-, dimethyl ester
IUPAC: methyl 2-(2-hydroxyphenyl)-2-[2-[[1-(2-hydroxyphenyl)-2-methoxy-2-oxoethyl]amino]ethylamino]acetate

Names & synonyms

BRN 565389590044-13-6N,N'-Ethylenebis(2-(o-hydroxyphenyl)glycine) dimethyl esterGLYCINE, N,N'-ETHYLENEBIS(2-(o-HYDROXYPHENYL)-, DIMETHYL ESTERRefChem:346299CHEMBL279882DTXSID801009110Dimethyl 2,2'-(ethane-1,2-diyldiazanediyl)bis[(2-hydroxyphenyl)acetate]Dimethyl 2,2'-[ethane-1,2-diylbis(azanediyl)]bis[(2-hydroxyphenyl)acetate]

Database identifiers

CAS: 90044-13-6
PubChem CID: 56033
DTXSID: DTXSID801009110
ChEMBL: CHEMBL279882

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 117 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 28
Formal charge: 0
Complexity: 459

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