5-Bromo-2-[(2-carboxyethyl)amino]benzoic acid
Basic information
- CAS
105026-31-1- Standard SMILES
O=C(O)CCNc1ccc(Br)cc1C(=O)O- InChIKey
UCDRJLNZRICNMJ-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO4
- Average molar mass
- 288.09 g/mol
- Monoisotopic mass
- 286.97932
Names & identifiers
- Preferred name
- 5-Bromo-2-[(2-carboxyethyl)amino]benzoic acid
- IUPAC
- 5-bromo-2-(2-carboxyethylamino)benzoic acid
Names & synonyms
5-bromo-2-[(2-carboxyethyl)amino]benzoic acid105026-31-15-bromo-2-(2-carboxyethylamino)benzoic acid5-Bromo-2-((2-carboxyethyl)amino)benzoic acidCBKinase1_000090CBKinase1_012490Cambridge id 5213908TimTec1_004214Oprea1_488284Oprea1_525194CBDivE_004809CHEMBL500760
Show more names
SCHEMBL11887681DTXSID50350587HMS1545P12STK047843AKOS000541778ST50224790AB00075445-01SR-01000390113
Database identifiers
- CAS
105026-31-1- PubChem CID
- 683786
- DTXSID
DTXSID50350587- ChEMBL
CHEMBL500760
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 272
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Compound notes
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