Basic information
- Standard SMILES
CCOC(=O)c1cn(CC(=O)O)c2ccccc12- InChIKey
LWDMNSVGJOSMFZ-UHFFFAOYSA-N- Molecular formula
- C13H13NO4
- Average molar mass
- 247.25 g/mol
Names & identifiers
- Preferred name
- 1-Carboxymethyl-1H-indole-3-carboxylic acid ethyl ester
- IUPAC
- 2-(3-ethoxycarbonylindol-1-yl)acetic acid
Names & synonyms
1386456-58-11-Carboxymethyl-1H-indole-3-carboxylic acid ethyl esterSCHEMBL8694448LWDMNSVGJOSMFZ-UHFFFAOYSA-NDA-24913
Database identifiers
- PubChem CID
- 19085268
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 331
Related reactions
1 records
Compound notes
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