Basic information
- Standard SMILES
NCC[C@@H]1C[C@H](CC(=O)O)OC2(CCCCC2)O1- InChIKey
ODSJZNUVQAWWDV-GHMZBOCLSA-N- Molecular formula
- C13H23NO4
- Average molar mass
- 257.33 g/mol
Names & identifiers
- Preferred name
- (2R-cis)-4-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid
- IUPAC
- 2-[(2R,4R)-2-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecan-4-yl]acetic acid
Names & synonyms
SCHEMBL2904192ODSJZNUVQAWWDV-GHMZBOCLSA-N(+/-)-cis-4-(2-aminoethyl)-1,5-dioxaspiro-[5.5]undecane-2-acetic acid(+/-)-cis-4-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid(2R-cis)-4-(2-aminoethyl)-1,5-dioxaspiro[5.5]undecane-2-acetic acid
Database identifiers
- PubChem CID
- 15045142
Properties
Computed structural properties
- XLogP
- -1.4
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
11 records
Linked notes
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