2-[(4-Methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acid

HCID 337771

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Basic information

CAS: 83870-99-9
Standard SMILES: CCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
InChIKey: HGLUULUAORDIAX-UHFFFAOYSA-N
Molecular formula: C15H22N2O5S
Average molar mass: 342.4 g/mol
Monoisotopic mass: 342.12494298

Names & identifiers

Preferred name: 2-[(4-Methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acid
IUPAC: 2-[(4-methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acid

Names & synonyms

83870-99-9NSC3568102-[(4-methylphenyl)sulfonylamino]-5-oxo-5-(propylamino)pentanoic acidDTXSID30320268NSC-356810N~2~-(4-Methylbenzene-1-sulfonyl)-N-propylglutamine

Database identifiers

CAS: 83870-99-9
PubChem CID: 337771
DTXSID: DTXSID30320268
Nikkaji: J1.588.309J

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 121 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 9
Heavy atoms: 23
Formal charge: 0
Complexity: 492

Experimental & physicochemical properties

LogP0.13

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