2-(1H-indol-2-yl)butanoic acid
Basic information
- Standard SMILES
CCC(C(=O)O)c1cc2ccccc2[nH]1- InChIKey
VYPKFHFVKFKHMK-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 2-(1H-indol-2-yl)butanoic acid
- IUPAC
- 2-(1H-indol-2-yl)butanoic acid
Names & synonyms
2-(1H-indol-2-yl)butanoic acid1511720-78-72-indolylbutyric acidSCHEMBL977577SCHEMBL29875286VYPKFHFVKFKHMK-UHFFFAOYSA-NEN300-1843933
Database identifiers
- PubChem CID
- 19085256
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Related reactions
2 records
Compound notes
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