Basic information
- Standard SMILES
N#CC[C@@H]1C[C@H](CC(=O)O)OC2(CCCCC2)O1- InChIKey
BEQULPJPILQIPS-GHMZBOCLSA-N- Molecular formula
- C13H19NO4
- Average molar mass
- 253.29 g/mol
Names & identifiers
- Preferred name
- (+/-)-cis-4-(Cyanomethyl)-1,5dioxaspiro[5.5]undecane-2-acetic acid
- IUPAC
- 2-[(2R,4R)-2-(cyanomethyl)-1,5-dioxaspiro[5.5]undecan-4-yl]acetic acid
Names & synonyms
SCHEMBL9364791BEQULPJPILQIPS-GHMZBOCLSA-N(+/-)-cis-4-(cyanomethyl)-1,5-dioxaspiro[5.5]-undecane-2-acetic acid(+/-)-cis-4-(cyanomethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid(+/-)-cis-4-(cyanomethyl)-1,5dioxaspiro[5.5]undecane-2-acetic acid
Database identifiers
- PubChem CID
- 15045140
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 353
Related reactions
17 records
Compound notes
Loading…