3-[4-[Bis(2-carboxyethyl)amino]butyl-(2-carboxyethyl)amino]propanoic acid;hydrochloride
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Basic information
- Standard SMILES
Cl.O=C(O)CCN(CCCCN(CCC(=O)O)CCC(=O)O)CCC(=O)O- InChIKey
BJKBEJBBAQBECG-UHFFFAOYSA-N- Molecular formula
- C16H29ClN2O8
- Average molar mass
- 412.9 g/mol
- Monoisotopic mass
- 412.1612436
Names & identifiers
- Preferred name
- 3-[4-[Bis(2-carboxyethyl)amino]butyl-(2-carboxyethyl)amino]propanoic acid;hydrochloride
- IUPAC
- 3-[4-[bis(2-carboxyethyl)amino]butyl-(2-carboxyethyl)amino]propanoic acid;hydrochloride
Names & synonyms
NSC642925CHEMBL2006435NSC-642925
Database identifiers
- PubChem CID
- 370183
- ChEMBL
CHEMBL2006435
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 391
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Compound notes
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