Basic information
- Standard SMILES
Cc1c(C(=O)N[C@H](C(=O)O)C(C)C)n(C)c2ccccc12- InChIKey
ADTFVAMJPLIMQK-ZDUSSCGKSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
Names & identifiers
- Preferred name
- N-(1,3-Dimethylindole-2-Carbonyl)Valine
- IUPAC
- (2S)-2-[(1,3-dimethylindole-2-carbonyl)amino]-3-methylbutanoic acid
Names & synonyms
SCHEMBL5667733ADTFVAMJPLIMQK-ZDUSSCGKSA-NN-(1,3-Dimethylindole-2-Carbonyl)Valine
Database identifiers
- PubChem CID
- 53637592
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 410
Related reactions
14 records
Compound notes
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