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Basic information
- Standard SMILES
O=C(O)CN1CCN2CCOCCN(CC1)CCN(CC(=O)O)CC2- InChIKey
QCPIANIXKSUROF-UHFFFAOYSA-N- Molecular formula
- C16H30N4O5
- Average molar mass
- 358.43 g/mol
- Monoisotopic mass
- 358.22162007
Names & identifiers
- Preferred name
- 2-[10-(Carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acid
- IUPAC
- 2-[15-(carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid
Names & synonyms
NSC696846CHEMBL1969731NSC-6968462-[10-(carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acidNCI60_0344864-Oxa-1,7,10,15-tetraazabicyclo[5.5.5]heptadecane-10,15-diacetic acid
Database identifiers
- PubChem CID
- 393886
- ChEMBL
CHEMBL1969731
Properties
Computed structural propertiesFilling in
- XLogP
- -5.6
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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