4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid

C8H18N2O5S — CID 107835294

IUPAC4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)(C)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-8(2,3)10-16(14,15)9-5-4-6(11)7(12)13/h6,9-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyVYESLTBULBQZPM-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.96
Rot. Bonds6

About 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid

4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid (PubChem CID 107835294) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
PubChem CID107835294
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
SMILESCC(C)(C)NS(=O)(=O)NCCC(O)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-8(2,3)10-16(14,15)9-5-4-6(11)7(12)13/h6,9-11H,4-5H2,1-3H3,(H,12,13)
InChIKeyVYESLTBULBQZPM-UHFFFAOYSA-N
XLogP-0.96
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(tert-butylsulfamoylamino)ethylamino]propan-2-ol
CID 114811352
1-(tert-butylsulfamoylamino)propan-2-ol
CID 104538434
N'-(tert-butylsulfamoyl)-N-methylethane-1,2-diamine
CID 114810641
2-(tert-butylsulfamoylamino)pentanoic acid
CID 114805519
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
CID 107835309
(2S)-2-hydroxy-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934018
(2S)-2-hydroxy-4-(hydroxyamino)butanoic acid
CID 141435473
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
2-hydroxy-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 107832064
4-[(2,4-dihydroxy-3,3-dimethylbutanoyl)amino]-2-hydroxybutanoic acid
CID 16107
4-(3,3-dimethylbutylcarbamoylamino)-2-hydroxybutanoic acid
CID 107841235

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid?
The IUPAC name of 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid (CID 107835294) is 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid.
What is the SMILES notation for 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid?
The canonical SMILES for 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid is CC(C)(C)NS(=O)(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid?
The InChIKey is VYESLTBULBQZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-8(2,3)10-16(14,15)9-5-4-6(11)7(12)13/h6,9-11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid?
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid has a molecular weight of 254.31 g/mol, XLogP of -0.96, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid is sourced from PubChem (CID 107835294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).