Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-YL)pentyl)oxy)-
Basic information
- CAS
13737-98-9- Standard SMILES
Nc1ccc(OCCCCCN2C(=O)c3ccccc3C2=O)c(C(=O)O)c1- InChIKey
ZCLNIPUJEKUSEP-UHFFFAOYSA-N- Molecular formula
- C20H20N2O5
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.13722174
Names & identifiers
- Preferred name
- Benzoic acid, 5-amino-2-((5-(1,3-dioxoisoindolin-2-YL)pentyl)oxy)-
- IUPAC
- 5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]benzoic acid
Names & synonyms
13737-98-9BENZOIC ACID, 5-AMINO-2-((5-(1,3-DIOXOISOINDOLIN-2-YL)PENTYL)OXY)-5-amino-2-[5-(1,3-dioxoisoindol-2-yl)pentoxy]benzoic acidM & B 7971BRN 15075515-Amino-2-((5-(1,3-dioxoisoindolin-2-yl)pentyl)oxy)benzoic acidorb1986426DTXSID20160155AKOS040750761T303805-Amino-2-{[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentyl]oxy}benzoic acid
Database identifiers
- CAS
13737-98-9- PubChem CID
- 26243
- DTXSID
DTXSID20160155
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
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Compound notes
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