Basic information
- Standard SMILES
CC(C)(C)OC(=O)[C@H]1CC(CC(=O)O)CN[C@@H]1C(=O)N1CCC(c2ccccc2)C1- InChIKey
VZPROHIKDGZMSO-IVJQXSGXSA-N- Molecular formula
- C23H32N2O5
- Average molar mass
- 416.5 g/mol
Names & identifiers
- Preferred name
- {(5s,6s)-5-(Tert-butoxycarbonyl)-6-[(3-phenylpyrrolidin-1-yl)carbonyl]piperidin-3-yl}acetic acid
- IUPAC
- 2-[(5S,6S)-5-[(2-methylpropan-2-yl)oxycarbonyl]-6-(3-phenylpyrrolidine-1-carbonyl)piperidin-3-yl]acetic acid
Names & synonyms
SCHEMBL2173751VZPROHIKDGZMSO-IVJQXSGXSA-N{(5s,6s)-5-(tert-butoxycarbonyl)-6-[(3-phenylpyrrolidin-1-yl)carbonyl]piperidin-3-yl}acetic acid
Database identifiers
- PubChem CID
- 67304514
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 638
Related reactions
2 records
Compound notes
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