trans-N-Decyl-2-[4-(4-carboxy-2-oxo-pyrrolidino)-phenyl]cyclopropanecarboxamide
Basic information
- Standard SMILES
CCCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccc(N2CC(C(=O)O)CC2=O)cc1- InChIKey
ZQMFVPWJHDIYLJ-YPURBLFUSA-N- Molecular formula
- C25H36N2O4
- Average molar mass
- 428.6 g/mol
Names & identifiers
- Preferred name
- trans-N-Decyl-2-[4-(4-carboxy-2-oxo-pyrrolidino)-phenyl]cyclopropanecarboxamide
- IUPAC
- 1-[4-[(1R,2R)-2-(decylcarbamoyl)cyclopropyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
Names & synonyms
SCHEMBL11099180ZQMFVPWJHDIYLJ-YPURBLFUSA-Ntrans-N-Decyl-2-[4-(4-carboxy-2-oxo-pyrrolidino)-phenyl]cyclopropanecarboxamide
Database identifiers
- PubChem CID
- 54560922
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 615
Related reactions
1 records
Compound notes
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