2,2'-[[2-[(4-Bromo-3-methylphenyl)amino]-2-oxoethyl]imino]bisacetic acid

HCID 13245249
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Basic information

Standard SMILES
Cc1cc(NC(=O)CN(CC(=O)O)CC(=O)O)ccc1Br
InChIKey
IZEFTTLLQCXMCW-UHFFFAOYSA-N
Molecular formula
C13H15BrN2O5
Average molar mass
359.17 g/mol

Names & identifiers

Preferred name
2,2'-[[2-[(4-Bromo-3-methylphenyl)amino]-2-oxoethyl]imino]bisacetic acid
IUPAC
2-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid

Names & synonyms

SCHEMBL11149052IZEFTTLLQCXMCW-UHFFFAOYSA-NAKOS0129565752,2'-[[2-[(4-Bromo-3-methylphenyl)amino]-2-oxoethyl]imino]bisacetic acid

Database identifiers

PubChem CID
13245249

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
107 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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