3-(4-Chlorophenyl)glutamic acid

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Basic information

CAS: 78590-22-4
Standard SMILES: N[C@H](C(=O)O)C(CC(=O)O)c1ccc(Cl)cc1
InChIKey: ZHXBCPSYEAQEHB-HTLJXXAVSA-N
Molecular formula: C11H12ClNO4
Average molar mass: 257.67 g/mol
Monoisotopic mass: 257.0454856

Names & identifiers

Preferred name: 3-(4-Chlorophenyl)glutamic acid
IUPAC: (2S)-2-amino-3-(4-chlorophenyl)pentanedioic acid
English name: 3-(4-Chlorophenyl)glutamic acid
Molecular formula: C11H12ClNO4
Molecular weight: 257.67028

Names & synonyms

Chlorpheg3-(4-Chlorophenyl)glutamic acid78590-22-4DTXSID40999863RefChem:92421DTXCID101426832(2S)-2-amino-3-(4-chlorophenyl)pentanedioic acidbeta-para-ChlorophenylglutamateSCHEMBL6021625beta-(p-chlorophenyl) glutamic acid3-(4-chlorophenyl)-L-glutamic acidGlutamic acid, 3-(4-chlorophenyl)-

Database identifiers

CAS: 78590-22-4
PubChem CID: 132872
DTXSID: DTXSID40999863

Properties

Computed structural properties

XLogP: -1.5
Topological polar surface area: 101 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 289

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Compound notes

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