Basic information
- Standard SMILES
COC(=O)COCC#CCN1C(=O)CCC[C@@H]1CO- InChIKey
SSNQKCGDOVVJLS-LLVKDONJSA-N- Molecular formula
- C13H19NO5
- Average molar mass
- 269.29 g/mol
- Monoisotopic mass
- 269.12632271
Names & identifiers
- Preferred name
- [4-((R)-2-hydroxymethyl-6-oxo-piperidin-1-yl)-but-2-ynyloxy]-acetic acid methyl ester
- IUPAC
- methyl 2-[4-[(2R)-2-(hydroxymethyl)-6-oxopiperidin-1-yl]but-2-ynoxy]acetate
Names & synonyms
SCHEMBL4377017SSNQKCGDOVVJLS-LLVKDONJSA-N[4-((R)-2-hydroxymethyl-6-oxo-piperidin-1-yl)-but-2-ynyloxy]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 69021580
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 76.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
6 records
Compound notes
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