Basic information
- Standard SMILES
CNC(=O)COC(=O)N1CCN(C(=O)OC(C)(C)C)CC1- InChIKey
IRAFINHHASGAMM-UHFFFAOYSA-N- Molecular formula
- C13H23N3O5
- Average molar mass
- 301.34 g/mol
- Monoisotopic mass
- 301.16377084
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 2-(methylamino)-2-oxoethyl piperazine-1,4-dicarboxylate
- IUPAC
- 4-O-tert-butyl 1-O-[2-(methylamino)-2-oxoethyl] piperazine-1,4-dicarboxylate
Names & synonyms
SCHEMBL593633IRAFINHHASGAMM-UHFFFAOYSA-N1,1-dimethylethyl 2-(methylamino)-2-oxoethyl 1,4-piperazinedicarboxylate1,1-dimethylethyl 2-(methylamino)-2-oxoethyl piperazine-1,4-dicarboxylate
Database identifiers
- PubChem CID
- 60209554
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 88.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
4 records
Compound notes
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