6-[(2-Carboxyethyl)amino]hexanoic acid
Basic information
- CAS
4383-91-9- Standard SMILES
O=C(O)CCCCCNCCC(=O)O- InChIKey
BARXJSHSPNGZRP-UHFFFAOYSA-N- Molecular formula
- C9H17NO4
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.11575802
Names & identifiers
- Preferred name
- 6-[(2-Carboxyethyl)amino]hexanoic acid
- IUPAC
- 6-(2-carboxyethylamino)hexanoic acid
Names & synonyms
4383-91-96-[(2-carboxyethyl)amino]hexanoic acidNSC100168NCIOpen2_007182DTXSID50295181NSC-100168
Database identifiers
- CAS
4383-91-9- PubChem CID
- 264803
- DTXSID
DTXSID50295181
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 182
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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