Basic information
- Standard SMILES
C#CCOc1ccc(OCC2CCCN2C(=O)OC(C)(C)C)cc1- InChIKey
ZDZOHRHIZVOZBW-UHFFFAOYSA-N- Molecular formula
- C19H25NO4
- Average molar mass
- 331.4 g/mol
Names & identifiers
- Preferred name
- 2-(4-Prop-2-ynyloxy-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 2-[(4-prop-2-ynoxyphenoxy)methyl]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL2889418ZDZOHRHIZVOZBW-UHFFFAOYSA-N2-(4-Prop-2-ynyloxy-phenoxymethyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86619656
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
10 records
Compound notes
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