Basic information
- Standard SMILES
CCc1[nH]c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2N2CCCC2)nc1Cl- InChIKey
KAMKIRCLYIUVEV-HUUCEWRRSA-N- Molecular formula
- C20H32ClN5O3
- Average molar mass
- 426 g/mol
Names & identifiers
- Preferred name
- tert-Butyl trans(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-pyrrolidin-1-ylpiperidine-1-carboxylate
- IUPAC
- tert-butyl (3R,4R)-4-[(4-chloro-5-ethyl-1H-imidazole-2-carbonyl)amino]-3-pyrrolidin-1-ylpiperidine-1-carboxylate
Names & synonyms
KAMKIRCLYIUVEV-HUUCEWRRSA-Ntert-Butyl trans(+/-)-4-{[(4-chloro-5-ethyl-1H-imidazol-2-yl)carbonyl]amino}-3-pyrrolidin-1-ylpiperidine-1-carboxylate
Database identifiers
- PubChem CID
- 86648779
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
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