Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCC(NC(=O)c1ccc(CN)cc1)C(=O)OC(C)(C)C- InChIKey
OMGGCZHDIQZBKK-UHFFFAOYSA-N- Molecular formula
- C21H32N2O5
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- Ditert-butyl 2-[[4-(aminomethyl)benzoyl]amino]pentanedioate
- IUPAC
- ditert-butyl 2-[[4-(aminomethyl)benzoyl]amino]pentanedioate
Names & synonyms
SCHEMBL9088784
Database identifiers
- PubChem CID
- 67768752
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 540
Related reactions
1 records
Compound notes
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