Methyl 3-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methylbenzoate
Basic information
- Standard SMILES
COC[C@@H]1CCCN1Cc1cc(C)cc(C(=O)OC)c1- InChIKey
SLICFFLAEOOYJI-HNNXBMFYSA-N- Molecular formula
- C16H23NO3
- Average molar mass
- 277.36 g/mol
Names & identifiers
- Preferred name
- Methyl 3-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methylbenzoate
- IUPAC
- methyl 3-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methylbenzoate
Names & synonyms
SCHEMBL3351792SLICFFLAEOOYJI-HNNXBMFYSA-NMethyl 3-{[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl}-5-methylbenzoate
Database identifiers
- PubChem CID
- 57487367
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
4 records
Compound notes
Loading…