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Basic information
- Standard SMILES
CCCCCCCCCC(C)NC(=O)[C@@H]1C[C@H]1c1ccc(N2CC(C(=O)O)CC2=O)cc1- InChIKey
UUUPGPHVNZHMNO-SCMVOWPKSA-N- Molecular formula
- C26H38N2O4
- Average molar mass
- 442.6 g/mol
- Monoisotopic mass
- 442.2831577
Names & identifiers
- Preferred name
- Trans-N-[1-Methyldecyl]-2-[4-(4-carboxy-2-oxo-pyrrolidino)phenyl]cyclopropanecarboxamide
- IUPAC
- 5-oxo-1-[4-[(1R,2R)-2-(undecan-2-ylcarbamoyl)cyclopropyl]phenyl]pyrrolidine-3-carboxylic acid
Names & synonyms
SCHEMBL11099622UUUPGPHVNZHMNO-SCMVOWPKSA-NTrans-N-[1-Methyldecyl]-2-[4-(4-carboxy-2-oxo-pyrrolidino)phenyl]cyclopropanecarboxamide
Database identifiers
- PubChem CID
- 54373403
Properties
Computed structural propertiesFilling in
- XLogP
- 4.9
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 644
Related reactions
1 records
Compound notes
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