(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid

C15H23NO4S — CID 79009568

IUPAC(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCCC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-11(4)12-6-8-13(9-7-12)21(19,20)16-14(10(2)3)15(17)18/h6-11,14,16H,5H2,1-4H3,(H,17,18)/t11?,14-/m1/s1
InChIKeyCVRYJRPMEVVENO-SBXXRYSUSA-N
MW313.42 g/mol
LogP2.59
Rot. Bonds7

About (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid

(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid (PubChem CID 79009568) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
PubChem CID79009568
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid
SMILESCCC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-5-11(4)12-6-8-13(9-7-12)21(19,20)16-14(10(2)3)15(17)18/h6-11,14,16H,5H2,1-4H3,(H,17,18)/t11?,14-/m1/s1
InChIKeyCVRYJRPMEVVENO-SBXXRYSUSA-N
XLogP2.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
(2R)-2-[(4-acetylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 29050959
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
N-benzhydryl-4-butan-2-ylbenzenesulfonamide
CID 19681704
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-3-methylbutanoic acid
CID 773550
(2S)-6-amino-2-[(4-butan-2-ylphenyl)sulfonylamino]hexanoic acid
CID 126806676
2-[4-(propan-2-ylsulfamoyl)phenyl]butanoic acid
CID 113428098
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
2-[[4-[4-(aminomethyl)phenyl]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 18914699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid (CID 79009568) is (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid is CCC(C)c1ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc1.
What is the InChIKey of (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid?
The InChIKey is CVRYJRPMEVVENO-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-5-11(4)12-6-8-13(9-7-12)21(19,20)16-14(10(2)3)15(17)18/h6-11,14,16H,5H2,1-4H3,(H,17,18)/t11?,14-/m1/s1.
What are the key properties of (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid?
(2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid has a molecular weight of 313.42 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-butan-2-ylphenyl)sulfonylamino]-3-methylbutanoic acid is sourced from PubChem (CID 79009568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).