Basic information
- Standard SMILES
NCC[C@@H]1C[C@H](CC(=O)O)OC2(CCCC2)O1- InChIKey
ABIDFBDNMMZNLC-NXEZZACHSA-N- Molecular formula
- C12H21NO4
- Average molar mass
- 243.3 g/mol
Names & identifiers
- Preferred name
- (+/-)-cis-9-(2Aminoethyl)-6,10-dioxaspiro[4.5]decane-7-acetic acid
- IUPAC
- 2-[(7R,9R)-7-(2-aminoethyl)-6,10-dioxaspiro[4.5]decan-9-yl]acetic acid
Names & synonyms
SCHEMBL9368987ABIDFBDNMMZNLC-NXEZZACHSA-N(+/-)-cis-9-(2-aminoethyl)-6,10-dioxaspiro[4.5]decane-7-acetic acid(+/-)-cis-9-(2aminoethyl)-6,10-dioxaspiro[4.5]decane-7-acetic acid(7R-cis)-9-(2-aminoethyl)-6,10-dioxaspiro [4.5]decane-7-acetic acid
Database identifiers
- PubChem CID
- 15045133
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
10 records
Compound notes
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