(S)-3-(2-benzyl-4-(3-cyclobutoxy-4-methoxyphenyl)piperazin-1-yl)-3-oxopropanoic acid
Basic information
- Standard SMILES
COc1ccc(N2CCN(C(=O)CC(=O)O)[C@@H](Cc3ccccc3)C2)cc1OC1CCC1- InChIKey
WJIUXMPTGBVRHE-FQEVSTJZSA-N- Molecular formula
- C25H30N2O5
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.21547206
Names & identifiers
- Preferred name
- (S)-3-(2-benzyl-4-(3-cyclobutoxy-4-methoxyphenyl)piperazin-1-yl)-3-oxopropanoic acid
- IUPAC
- 3-[(2S)-2-benzyl-4-(3-cyclobutyloxy-4-methoxyphenyl)piperazin-1-yl]-3-oxopropanoic acid
Names & synonyms
SCHEMBL882637WJIUXMPTGBVRHE-FQEVSTJZSA-N(S)-3-(2-benzyl-4-(3-cyclobutoxy-4-methoxyphenyl)piperazin-1-yl)-3-oxopropanoic acid
Database identifiers
- PubChem CID
- 66828643
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 79.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 634
Related reactions
1 records
Compound notes
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