Basic information
- CAS
81806-47-5- Standard SMILES
C1CCC(NC2CCCCC2)CC1.O=C(O)[C@@H]1C[C@H](O)CN1C(=O)OCc1ccccc1- InChIKey
JDCOIVWZVLTVNM-ACMTZBLWSA-N- Molecular formula
- C25H38N2O5
- Average molar mass
- 446.6 g/mol
- Monoisotopic mass
- 446.27807232
Names & identifiers
- Preferred name
- (2S,4S)-1-(Benzyloxycarbonyl)-4-hydroxypyrrolidine 2-carboxylic acid dicyclohexylammonium salt
- IUPAC
- N-cyclohexylcyclohexanamine;(2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
Names & synonyms
81806-47-5(2S,4S)-1-(Benzyloxycarbonyl)-4-hydroxypyrrolidine 2-carboxylic acid dicyclohexylammonium saltN-cyclohexylcyclohexanamine;(2S,4S)-4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid(2S-cis)-4-hydroxy-1,2-pyrrolidinedicarboxylic acid, 1-(phenylmethyl) ester, N-cyclohexylcyclohexanamine (1:1)
Database identifiers
- CAS
81806-47-5- PubChem CID
- 56777522
Properties
Computed structural properties
- Topological polar surface area
- 99.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…