(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid

C15H23NO4S — CID 93252469

IUPAC(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-5-6-13(14(17)18)16-21(19,20)12-9-7-11(8-10-12)15(2,3)4/h7-10,13,16H,5-6H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyNIOMGZONSPROAW-CYBMUJFWSA-N
MW313.42 g/mol
LogP2.52
Rot. Bonds6

About (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid

(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid (PubChem CID 93252469) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
PubChem CID93252469
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
SMILESCCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C15H23NO4S/c1-5-6-13(14(17)18)16-21(19,20)12-9-7-11(8-10-12)15(2,3)4/h7-10,13,16H,5-6H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyNIOMGZONSPROAW-CYBMUJFWSA-N
XLogP2.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-tert-butylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933793
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]butanoic acid
CID 42255460
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 35767120
(2S)-2-[(4-chlorophenyl)sulfonylamino]pentanoic acid
CID 788533
2-[(4-fluorophenyl)sulfonylamino]pentanoic acid
CID 3745894
2,5-bis[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 135183823
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]octanedioic acid
CID 140522092
(2R)-2-[(4-ethoxyphenyl)sulfonylamino]pentanoic acid
CID 93252502
(2S)-2-[(4-tert-butylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 1190229
(2R)-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]pentanoic acid
CID 104935432
(2S)-2-[(3,5-difluorophenyl)sulfonylamino]pentanoic acid
CID 93252503
(2R)-2-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 93252465

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid (CID 93252469) is (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid is CCC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid?
The InChIKey is NIOMGZONSPROAW-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-6-13(14(17)18)16-21(19,20)12-9-7-11(8-10-12)15(2,3)4/h7-10,13,16H,5-6H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid?
(2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-tert-butylphenyl)sulfonylamino]pentanoic acid is sourced from PubChem (CID 93252469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).