Basic information
- Standard SMILES
COC(=O)CCCC(N)c1c(OC)ccc2ccccc12- InChIKey
XXGROQOASIUDSH-UHFFFAOYSA-N- Molecular formula
- C17H21NO3
- Average molar mass
- 287.35 g/mol
- Monoisotopic mass
- 287.15214353
Names & identifiers
- Preferred name
- Methyl 5-amino-5-(2-methoxynaphthalen-1-yl)pentanoate
- IUPAC
- methyl 5-amino-5-(2-methoxynaphthalen-1-yl)pentanoate
Names & synonyms
SCHEMBL4535657XXGROQOASIUDSH-UHFFFAOYSA-Nmethyl 5-amino-5-(2-methoxynaphthalen-1-yl)pentanoate
Database identifiers
- PubChem CID
- 69082274
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 334
Related reactions
4 records
Compound notes
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