Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C#CCN1CCCC1- InChIKey
LVDNNKJGKTWTDP-AWEZNQCLSA-N- Molecular formula
- C16H26N2O2
- Average molar mass
- 278.39 g/mol
- Monoisotopic mass
- 278.19942808
Names & identifiers
- Preferred name
- (R)-t-butyl 2-[3-(1-pyrrolidinyl)-1-propynyl]-1-pyrrolidinecarboxylate
- IUPAC
- tert-butyl (2R)-2-(3-pyrrolidin-1-ylprop-1-ynyl)pyrrolidine-1-carboxylate
Names & synonyms
CHEMBL326905SCHEMBL9022489LVDNNKJGKTWTDP-AWEZNQCLSA-NBDBM50228590(R)-t-butyl 2-[3-(1-pyrrolidinyl)-1-propynyl]-1-pyrrolidinecarboxylate(R)-2-[3-(1- pyrrolidinyl)-1-propynyl]-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester(R)-2-[3-(1-Pyrrolidinyl)-1-propynyl]-1-pyrrolidine-carboxylic acid, 1,1-dimethylethyl ester(R)-2-[3-(1-Pyrrolidinyl)-1-propynyl]-1-pyrrolidinecarboxylic acid, 1,1-dimethylethyl ester
Database identifiers
- PubChem CID
- 9860463
- ChEMBL
CHEMBL326905
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 407
Related reactions
6 records
Compound notes
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