Basic information
- Standard SMILES
NCC[C@@H]1C[C@H](CC(=O)O)OCO1- InChIKey
AQCCDCWWIAQFSK-RNFRBKRXSA-N- Molecular formula
- C8H15NO4
- Average molar mass
- 189.21 g/mol
Names & identifiers
- Preferred name
- (+/-)-cis-6-(2-Aminoethyl)-1,3-dioxane-4acetic acid
- IUPAC
- 2-[(4R,6R)-6-(2-aminoethyl)-1,3-dioxan-4-yl]acetic acid
Names & synonyms
SCHEMBL9365006AQCCDCWWIAQFSK-RNFRBKRXSA-N(+/-)-cis-6-(2-aminoethyl)-1,3-dioxane-4acetic acid(+/-)-cis-6-(2- aminoethyl)-1,3-dioxane-4-acetic acid(+/-)-cis-6-(2-aminoethyl)-1,3-dioxane-4-acetic acid
Database identifiers
- PubChem CID
- 15045150
Properties
Computed structural properties
- XLogP
- -3.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Related reactions
12 records
Compound notes
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