2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid
Basic information
- CAS
36305-94-9- Standard SMILES
O=C(O)CCC(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O- InChIKey
DLXXALMFLHHCTQ-UHFFFAOYSA-N- Molecular formula
- C14H17NO6
- Average molar mass
- 295.29 g/mol
- Monoisotopic mass
- 295.10558726
Names & identifiers
- Preferred name
- 2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid
- IUPAC
- 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid
Names & synonyms
NSC241993MLS00311524336305-94-9NSC-241993CHEMBL1967665DTXSID10311376NCI60_001941SMR0018308252-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)pentanedioic acid
Database identifiers
- CAS
36305-94-9- PubChem CID
- 315873
- DTXSID
DTXSID10311376- ChEMBL
CHEMBL1967665
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 502
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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