Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1Cn1c2ccccc2c2cc(C(N)=O)c(N)nc21- InChIKey
WSPLOIIWHONGMD-UHFFFAOYSA-N- Molecular formula
- C22H27N5O3
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- tert-butyl 2-{[2-amino-3-(aminocarbonyl)-9H-pyrido[2,3-b]indol-9-yl]methyl}pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-[(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL399896WSPLOIIWHONGMD-UHFFFAOYSA-Ntert-butyl 2-{[2-amino-3-(aminocarbonyl)-9H-pyrido[2,3-b]indol-9-yl]methyl}pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 59513632
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Related reactions
3 records
Compound notes
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