2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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Basic information
- Standard SMILES
NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1- InChIKey
WWXSZLHRQUYCHA-UHFFFAOYSA-N- Molecular formula
- C18H38N6O4
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.29545371
Names & identifiers
- Preferred name
- 2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
- IUPAC
- 2-[4,10-bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Names & synonyms
NSC696843CHEMBL1965239NSC-6968432-[4,10-bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acidNCI60_0344831,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-bis(3-aminopropyl)-
Database identifiers
- PubChem CID
- 393882
- ChEMBL
CHEMBL1965239
Properties
Computed structural propertiesFilling in
- XLogP
- -6.7
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 398
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Compound notes
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