3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid

C6H13NO5S — CID 66003148

IUPAC3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
SMILESCC(O)(CNS(C)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO5S/c1-6(10,3-5(8)9)4-7-13(2,11)12/h7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyLBRQSUINTHOUKA-UHFFFAOYSA-N
MW211.24 g/mol
LogP-1.24
Rot. Bonds5

About 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid

3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid (PubChem CID 66003148) has the molecular formula C6H13NO5S and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
PubChem CID66003148
Molecular FormulaC6H13NO5S
Molecular Weight211.24 g/mol
Exact Mass211.05
IUPAC Name3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid
SMILESCC(O)(CNS(C)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO5S/c1-6(10,3-5(8)9)4-7-13(2,11)12/h7,10H,3-4H2,1-2H3,(H,8,9)
InChIKeyLBRQSUINTHOUKA-UHFFFAOYSA-N
XLogP-1.24
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(benzylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66001767
3-hydroxy-3-methyl-4-(2-methylsulfonylpropanoylamino)butanoic acid
CID 104517700
3-hydroxy-4-[(4-methoxy-4-oxobutyl)sulfonylamino]-3-methylbutanoic acid
CID 66002556
4-(1-cyanopropylsulfonylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002550
3-hydroxy-3-methyl-4-(2-methylsulfonylethylcarbamoylamino)butanoic acid
CID 66001615
3-hydroxy-3-methyl-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 66002746
3-hydroxy-3-methyl-4-[(3-methylphenyl)sulfonylamino]butanoic acid
CID 66001569
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003745
4-[(3,4-dichlorophenyl)sulfonylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003945
3-hydroxy-3-methyl-4-(methylcarbamoylamino)butanoic acid
CID 66003379
3-hydroxy-3-methyl-4-(1-methylsulfonylpropan-2-ylcarbamoylamino)butanoic acid
CID 66003030
4-(dimethylcarbamoylamino)-3-hydroxy-3-methylbutanoic acid
CID 66002994

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid?
The IUPAC name of 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid (CID 66003148) is 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid is CC(O)(CNS(C)(=O)=O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid?
The InChIKey is LBRQSUINTHOUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5S/c1-6(10,3-5(8)9)4-7-13(2,11)12/h7,10H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid?
3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid has a molecular weight of 211.24 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(methanesulfonamido)-3-methylbutanoic acid is sourced from PubChem (CID 66003148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).