3-[3-(2-Carboxyethylamino)propylamino]propanoic acid;hydrochloride
Basic information
- Standard SMILES
Cl.O=C(O)CCNCCCNCCC(=O)O- InChIKey
SSYNBZRNYAQVFL-UHFFFAOYSA-N- Molecular formula
- C9H19ClN2O4
- Average molar mass
- 254.71 g/mol
- Monoisotopic mass
- 254.1033348
Names & identifiers
- Preferred name
- 3-[3-(2-Carboxyethylamino)propylamino]propanoic acid;hydrochloride
- IUPAC
- 3-[3-(2-carboxyethylamino)propylamino]propanoic acid;hydrochloride
Names & synonyms
NSC642921CHEMBL1999003NSC-642921
Database identifiers
- PubChem CID
- 370177
- ChEMBL
CHEMBL1999003
Properties
Computed structural properties
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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