3-{2-Amino-5-[4-(3,4-dimethoxybenzoyl)-1-piperazinyl]phenyl}-propionic acid

HCID 13236304

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

Related reactions

3 records

Compound notes

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