Basic information
- Standard SMILES
CNc1ccc2c(c1)C(O)(CC(=O)OC)C(C)=C2- InChIKey
FHDDIAVISHNDLT-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
- Monoisotopic mass
- 247.1208434
Names & identifiers
- Preferred name
- Methyl 5-methylamino-3-hydroxy-2-methyl-3-indenylacetate
- IUPAC
- methyl 2-[1-hydroxy-2-methyl-6-(methylamino)inden-1-yl]acetate
Names & synonyms
SCHEMBL8681503FHDDIAVISHNDLT-UHFFFAOYSA-Nmethyl 5-methylamino-3-hydroxy-2-methyl-3-indenylacetate
Database identifiers
- PubChem CID
- 53799079
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 366
Related reactions
3 records
Compound notes
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