(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid

C11H23NO4S — CID 104934822

IUPAC(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-6-9(10(13)14)12-17(15,16)8-7-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyLTVZSVZLCVHQQJ-VIFPVBQESA-N
MW265.37 g/mol
LogP1.60
Rot. Bonds7

About (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid

(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid (PubChem CID 104934822) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
PubChem CID104934822
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
SMILESCCC[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-6-9(10(13)14)12-17(15,16)8-7-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1
InChIKeyLTVZSVZLCVHQQJ-VIFPVBQESA-N
XLogP1.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
(2S)-2-(butylsulfonylamino)pentanoic acid
CID 93252473
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
(2S)-2-(methylsulfonylmethylsulfonylamino)pentanoic acid
CID 107564884
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
benzene;2-(methanesulfonamido)pentanoic acid
CID 68896483
2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
CID 104936044
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(2R)-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 107260702
(2R)-2-(butylsulfonylamino)butanoic acid
CID 42255264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid?
The IUPAC name of (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid (CID 104934822) is (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid?
The canonical SMILES for (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid is CCC[C@H](NS(=O)(=O)CCC(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid?
The InChIKey is LTVZSVZLCVHQQJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H23NO4S/c1-5-6-9(10(13)14)12-17(15,16)8-7-11(2,3)4/h9,12H,5-8H2,1-4H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid?
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid has a molecular weight of 265.37 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid is sourced from PubChem (CID 104934822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).