Basic information
- Standard SMILES
O=C(O)CCCCCN1C(=O)[C@H]2CC=CC[C@H]2C1=O- InChIKey
IACNEMHLZLHRPW-PHIMTYICSA-N- Molecular formula
- C14H19NO4
- Average molar mass
- 265.3 g/mol
Names & identifiers
- Preferred name
- 6-(cis-1,2,3,6-Tetrahydrophthalimido)hexanoic acid
- IUPAC
- 6-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]hexanoic acid
Names & synonyms
SCHEMBL9180487IACNEMHLZLHRPW-PHIMTYICSA-N6-(cis-1,2,3,6-tetrahydrophthalimido)hexanoic acid
Database identifiers
- PubChem CID
- 1551668
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 390
Related reactions
1 records
Compound notes
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