Basic information
- Standard SMILES
CC(C)(C)OC(=O)n1c(N2CCCC[C@H]2C(=O)O)nc2ccccc21- InChIKey
RFQYLUMBICIDTD-AWEZNQCLSA-N- Molecular formula
- C18H23N3O4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.16885622
Names & identifiers
- Preferred name
- (2S)-1-[1-(tert-butoxycarbonyl)-1H-1,3-benzimidazol-2-yl]-2-piperidinecarboxylic acid
- IUPAC
- (2S)-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]piperidine-2-carboxylic acid
Names & synonyms
SCHEMBL6978471RFQYLUMBICIDTD-AWEZNQCLSA-N(2S)-1-[1-(tert-butoxycarbonyl)-1H-1,3-benzimidazol-2-yl]-2-piperidinecarboxylic acid
Database identifiers
- PubChem CID
- 59063201
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 84.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 519
Related reactions
4 records
Compound notes
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