Basic information
- Standard SMILES
COc1ccc(C(NC(=O)OCc2ccccc2)C(=O)O)cc1C- InChIKey
QLAIZKWBCZNMIR-UHFFFAOYSA-N- Molecular formula
- C18H19NO5
- Average molar mass
- 329.3 g/mol
- Monoisotopic mass
- 329.12632271
Names & identifiers
- Preferred name
- Benzyloxycarbonylamino-(4-methoxy-3-methyl-phenyl)-acetic acid
- IUPAC
- 2-(4-methoxy-3-methylphenyl)-2-(phenylmethoxycarbonylamino)acetic acid
Names & synonyms
SCHEMBL3812659QLAIZKWBCZNMIR-UHFFFAOYSA-Nbenzyloxycarbonylamino-(4-methoxy-3-methyl-phenyl)-acetic acid
Database identifiers
- PubChem CID
- 68798586
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
4 records
Compound notes
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