2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid

C10H21NO5S — CID 104932555

IUPAC2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-7(12)8(9(13)14)11-17(15,16)6-5-10(2,3)4/h7-8,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyAWICHWDYFPHQBK-UHFFFAOYSA-N
MW267.35 g/mol
LogP0.18
Rot. Bonds6

About 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid

2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid (PubChem CID 104932555) has the molecular formula C10H21NO5S and a molecular weight of 267.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
PubChem CID104932555
Molecular FormulaC10H21NO5S
Molecular Weight267.35 g/mol
Exact Mass267.11
IUPAC Name2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
SMILESCC(O)C(NS(=O)(=O)CCC(C)(C)C)C(=O)O
InChIInChI=1S/C10H21NO5S/c1-7(12)8(9(13)14)11-17(15,16)6-5-10(2,3)4/h7-8,11-12H,5-6H2,1-4H3,(H,13,14)
InChIKeyAWICHWDYFPHQBK-UHFFFAOYSA-N
XLogP0.18
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949
(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
CID 104935336
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
CID 103773483
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
(2S,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 10891492
(2R,3R)-3-hydroxy-2-(2-phenylethylsulfonylamino)butanoic acid
CID 11748178
(2S,3R)-2-(cyanomethylsulfonylamino)-3-hydroxybutanoic acid
CID 104965161
2-cyclopropyl-2-(3,3-dimethylbutylsulfonylamino)acetic acid
CID 104936044
(2S,3R)-3-hydroxy-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid
CID 104965164
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
CID 63856585

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid?
The IUPAC name of 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid (CID 104932555) is 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid.
What is the SMILES notation for 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid?
The canonical SMILES for 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid is CC(O)C(NS(=O)(=O)CCC(C)(C)C)C(=O)O.
What is the InChIKey of 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid?
The InChIKey is AWICHWDYFPHQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO5S/c1-7(12)8(9(13)14)11-17(15,16)6-5-10(2,3)4/h7-8,11-12H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid?
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid has a molecular weight of 267.35 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid is sourced from PubChem (CID 104932555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).