Basic information
- Standard SMILES
COC(=O)CCC(N)c1c(OC)cccc1OC- InChIKey
GGCPHYVSZGJPJP-UHFFFAOYSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
Names & identifiers
- Preferred name
- Methyl 4-amino-4-(2,6-dimethoxyphenyl)butanoate
- IUPAC
- methyl 4-amino-4-(2,6-dimethoxyphenyl)butanoate
Names & synonyms
methyl 4-amino-4-(2,6-dimethoxyphenyl)butanoate1375098-27-3SCHEMBL4535996GGCPHYVSZGJPJP-UHFFFAOYSA-NDB-352017
Database identifiers
- PubChem CID
- 69082397
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
Related reactions
25 records
Compound notes
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