Basic information
- Standard SMILES
COc1cc(C(N)CC(=O)O)ccc1OC1CCCC1- InChIKey
VUBFAINSWNFNOJ-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Names & identifiers
- Preferred name
- 3-Amino-3-(3-methoxy-4-cyclopentyloxy-phenyl)propionic acid
- IUPAC
- 3-amino-3-(4-cyclopentyloxy-3-methoxyphenyl)propanoic acid
Names & synonyms
SCHEMBL2985100VUBFAINSWNFNOJ-UHFFFAOYSA-N3-amino-3-(3-methoxy-4-cyclopentyloxy-phenyl) propionic acid3-amino-3-(3-methoxy-4-cyclopentyloxy-phenyl)propionic acid
Database identifiers
- PubChem CID
- 68466628
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 317
Related reactions
2 records
Compound notes
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