Basic information
- Standard SMILES
CC(c1c[nH]c2ccccc12)C(N)C(=O)O- InChIKey
CZSQAYAIWDEOSA-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
Names & identifiers
- Preferred name
- 2-Amino-3-(3-indolyl)butanoic acid
- IUPAC
- 2-amino-3-(1H-indol-3-yl)butanoic acid
Names & synonyms
2-amino-3-(3-indolyl)butanoic acidNSC157814SCHEMBL195995SCHEMBL31646035CZSQAYAIWDEOSA-UHFFFAOYSA-NNSC157815NSC-157814NSC-157815
Database identifiers
- PubChem CID
- 292170
- Nikkaji
- J2.379.299K
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 79.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 270
Related reactions
4 records
Compound notes
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