3,5-Bis{[(6-aminohexanoyl)amino]methyl}benzoic acid
Basic information
- CAS
819883-49-3- Standard SMILES
NCCCCCC(=O)NCc1cc(CNC(=O)CCCCCN)cc(C(=O)O)c1- InChIKey
OYNUYZMQRWSGOY-UHFFFAOYSA-N- Molecular formula
- C21H34N4O4
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.25800558
Names & identifiers
- Preferred name
- 3,5-Bis{[(6-aminohexanoyl)amino]methyl}benzoic acid
- IUPAC
- 3,5-bis[(6-aminohexanoylamino)methyl]benzoic acid
Names & synonyms
819883-49-33,5-Bis{[(6-aminohexanoyl)amino]methyl}benzoic acidDTXSID508397813,5-BIS[(6-AMINOHEXANAMIDO)METHYL]BENZOIC ACID
Database identifiers
- CAS
819883-49-3- PubChem CID
- 71420596
- DTXSID
DTXSID50839781
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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