Basic information
- Standard SMILES
Cc1ccc(NC(=O)CN(CC(=O)O)CC(=O)O)cc1I- InChIKey
SFPXBXKUJFHQQY-UHFFFAOYSA-N- Molecular formula
- C13H15IN2O5
- Average molar mass
- 406.17 g/mol
Names & identifiers
- Preferred name
- 2,2'-[[2-[(3-Iodo-4-methylphenyl)amino]-2-oxoethyl]-imino]bisacetic acid
- IUPAC
- 2-[carboxymethyl-[2-(3-iodo-4-methylanilino)-2-oxoethyl]amino]acetic acid
Names & synonyms
SCHEMBL11149123SFPXBXKUJFHQQY-UHFFFAOYSA-N2,2'-[[2-[(3-Iodo-4-methylphenyl)amino]-2-oxoethyl]-imino]bisacetic acid
Database identifiers
- PubChem CID
- 13245248
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Related reactions
2 records
Compound notes
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