Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2)C(C(=O)O)C1- InChIKey
YKCMSKWIWGCSLG-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O4
- Average molar mass
- 340.8 g/mol
Names & identifiers
- Preferred name
- 4-(Tert-butoxycarbonyl)-1-(3-chlorophenyl)piperazine-2-carboxylic acid
- IUPAC
- 1-(3-chlorophenyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Names & synonyms
SCHEMBL49308854-(tert-butoxycarbonyl)-1-(3-chlorophenyl)piperazine-2-carboxylic acid871338-86-2DB-367096
Database identifiers
- PubChem CID
- 69245406
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 452
Related reactions
2 records
Compound notes
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