N-(4-chlorobenzoyl)-L-glutamic acid
Basic information
- CAS
57444-70-9- Standard SMILES
O=C(O)CCC(NC(=O)c1ccc(Cl)cc1)C(=O)O- InChIKey
ZPXCXBRPCFSCHI-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO5
- Average molar mass
- 285.68 g/mol
- Monoisotopic mass
- 285.0404002
Names & identifiers
- Preferred name
- N-(4-chlorobenzoyl)-L-glutamic acid
- IUPAC
- 2-[(4-chlorobenzoyl)amino]pentanedioic acid
Names & synonyms
EINECS 260-737-0RefChem:162123260-737-057444-70-9N-(4-chlorobenzoyl)-L-glutamic acidn-(4-chlorobenzoyl)glutamic acid2-[(4-chlorobenzoyl)amino]pentanedioic acidCBKinase1_000642CBKinase1_013042Cambridge id 6081629MLS000706464SCHEMBL5447058
Show more names
CHEMBL1794239DTXSID70972922ZPXCXBRPCFSCHI-UHFFFAOYSA-NHMS2648C11MFCD01898057AKOS000549934NCGC00245305-01SMR000272630
Database identifiers
- CAS
57444-70-9- PubChem CID
- 93671
- DTXSID
DTXSID70972922- ChEMBL
CHEMBL1794239- EC Number
- 260-737-0
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
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Compound notes
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