Basic information
- Standard SMILES
CCCOC(=O)Cc1c(CCC(=O)O)[nH]c2ccccc12- InChIKey
MGVSLHKYBBIQFB-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2-oxo-2-propoxyethyl)-1H-indol-2-yl]propanoic acid
- IUPAC
- 3-[3-(2-oxo-2-propoxyethyl)-1H-indol-2-yl]propanoic acid
Names & synonyms
SCHEMBL2187005MGVSLHKYBBIQFB-UHFFFAOYSA-N3-[3-(2-oxo-2-propoxyethyl)-1H-indol-2-yl]propanoic acid
Database identifiers
- PubChem CID
- 67309909
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 79.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 371
Related reactions
4 records
Compound notes
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