Basic information
- Standard SMILES
COc1ccc(C(=O)N2CCN(c3ccc(N)c(CCC(=O)O)c3)CC2)cc1OC- InChIKey
GPPFXJLGSAMBRF-UHFFFAOYSA-N- Molecular formula
- C22H27N3O5
- Average molar mass
- 413.5 g/mol
Names & identifiers
- Preferred name
- 3-{2-Amino-5-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]phenyl}-propionic acid
- IUPAC
- 3-[2-amino-5-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]phenyl]propanoic acid
Names & synonyms
SCHEMBL11194908GPPFXJLGSAMBRF-UHFFFAOYSA-N3-{2-amino- 5-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]phenyl}-propionic acid3-{2-Amino-5-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]phenyl}propionic acid
Database identifiers
- PubChem CID
- 13236304
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Related reactions
3 records
Compound notes
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