2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanoic acid
Basic information
- CAS
32392-63-5- Standard SMILES
CCC(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O- InChIKey
VMUKAGNDJHKTFP-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- 2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanoic acid
- IUPAC
- 2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)butanoic acid
Names & synonyms
NSC24198932392-63-5DTXSID50311375NSC-2419892-(1,3-Dioxooctahydro-2H-4,7-methanoisoindol-2-yl)butanoic acid
Database identifiers
- CAS
32392-63-5- PubChem CID
- 315869
- DTXSID
DTXSID50311375
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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