Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
O=C(O)CN1CCN2CCCCCCCCN(CC1)CCN(CC(=O)O)CC2- InChIKey
GWOCADJLDQSWMA-UHFFFAOYSA-N- Molecular formula
- C20H38N4O4
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.28930571
Names & identifiers
- Preferred name
- 2-[13-(Carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid
- IUPAC
- 2-[18-(carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-13-yl]acetic acid
Names & synonyms
NSC696849CHEMBL1986119NSC-6968492-[13-(carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acidNCI60_0344891,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid
Database identifiers
- PubChem CID
- 393889
- ChEMBL
CHEMBL1986119
Properties
Computed structural propertiesFilling in
- XLogP
- -2.9
- Topological polar surface area
- 87.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…