Basic information
- Standard SMILES
COC(=O)CC(N)c1ccc(OC2CCCC2)c(OC)c1- InChIKey
MQUATXVULWXAAN-UHFFFAOYSA-N- Molecular formula
- C16H23NO4
- Average molar mass
- 293.36 g/mol
- Monoisotopic mass
- 293.16270821
Names & identifiers
- Preferred name
- Methyl 3-amino-3-(3-methoxy-4-cyclopentyloxy-phenyl)propionate
- IUPAC
- methyl 3-amino-3-(4-cyclopentyloxy-3-methoxyphenyl)propanoate
Names & synonyms
SCHEMBL2993027MQUATXVULWXAAN-UHFFFAOYSA-Nmethyl 3-amino-3-(3-methoxy-4-cyclopentyloxy-phenyl)propionate
Database identifiers
- PubChem CID
- 68469374
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 330
Related reactions
2 records
Compound notes
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