Basic information
- Standard SMILES
COC(=O)C1(NC(=O)OC(C)(C)C)CCN(S(=O)(=O)c2ccc(C)cc2)CC1- InChIKey
VJBYECJYKXTCKU-UHFFFAOYSA-N- Molecular formula
- C19H28N2O6S
- Average molar mass
- 412.5 g/mol
Names & identifiers
- Preferred name
- 4-tert-Butoxycarbonylamino-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid methyl ester
- IUPAC
- methyl 1-(4-methylphenyl)sulfonyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-4-carboxylate
Names & synonyms
SCHEMBL1147372VJBYECJYKXTCKU-UHFFFAOYSA-N4-tert-Butoxycarbonylamino-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 58129388
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 664
Related reactions
4 records
Compound notes
Loading…