Basic information
- Standard SMILES
COC(=O)c1cccc(NCc2ccc(C(=O)O)o2)c1C(=O)OC- InChIKey
KJYVZEOQNBMQIR-UHFFFAOYSA-N- Molecular formula
- C16H15NO7
- Average molar mass
- 333.29 g/mol
Names & identifiers
- Preferred name
- 3-[(5-Carboxy-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
- IUPAC
- 5-[[2,3-bis(methoxycarbonyl)anilino]methyl]furan-2-carboxylic acid
Names & synonyms
SCHEMBL2382982KJYVZEOQNBMQIR-UHFFFAOYSA-N3-[(5-Carboxy-furan-2-ylmethyl)-amino]-phthalic acid dimethyl ester
Database identifiers
- PubChem CID
- 21040128
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Related reactions
7 records
Compound notes
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