2-(methanesulfonamido)-3-methylbutanoic acid

C6H13NO4S — CID 13443845

IUPAC2-(methanesulfonamido)-3-methylbutanoic acid
SMILESCC(C)C(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7H,1-3H3,(H,8,9)
InChIKeyAKFZJYZYVABSGC-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.36
Rot. Bonds4

About 2-(methanesulfonamido)-3-methylbutanoic acid

2-(methanesulfonamido)-3-methylbutanoic acid (PubChem CID 13443845) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-3-methylbutanoic acid
PubChem CID13443845
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-(methanesulfonamido)-3-methylbutanoic acid
SMILESCC(C)C(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C6H13NO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7H,1-3H3,(H,8,9)
InChIKeyAKFZJYZYVABSGC-UHFFFAOYSA-N
XLogP-0.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3-methylbutanoic acid?
The IUPAC name of 2-(methanesulfonamido)-3-methylbutanoic acid (CID 13443845) is 2-(methanesulfonamido)-3-methylbutanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-3-methylbutanoic acid?
The canonical SMILES for 2-(methanesulfonamido)-3-methylbutanoic acid is CC(C)C(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)-3-methylbutanoic acid?
The InChIKey is AKFZJYZYVABSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7H,1-3H3,(H,8,9).
What are the key properties of 2-(methanesulfonamido)-3-methylbutanoic acid?
2-(methanesulfonamido)-3-methylbutanoic acid has a molecular weight of 195.24 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3-methylbutanoic acid is sourced from PubChem (CID 13443845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).