2-(methanesulfonamido)-3,3-dimethylbutanoic acid

C7H15NO4S — CID 43468070

IUPAC2-(methanesulfonamido)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)5(6(9)10)8-13(4,11)12/h5,8H,1-4H3,(H,9,10)
InChIKeyFDBMNHWDNXNFMF-UHFFFAOYSA-N
MW209.27 g/mol
LogP0.03
Rot. Bonds3

About 2-(methanesulfonamido)-3,3-dimethylbutanoic acid

2-(methanesulfonamido)-3,3-dimethylbutanoic acid (PubChem CID 43468070) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-(methanesulfonamido)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(methanesulfonamido)-3,3-dimethylbutanoic acid
PubChem CID43468070
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-(methanesulfonamido)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-7(2,3)5(6(9)10)8-13(4,11)12/h5,8H,1-4H3,(H,9,10)
InChIKeyFDBMNHWDNXNFMF-UHFFFAOYSA-N
XLogP0.03
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methanesulfonamidopropanoic acid
CID 13443844
(2S)-2-methanesulfonamido-3-methylbutanoic acid
CID 10921435
N-(Methylsulfonyl)-L-alanine
CID 7446978
3-Dimethylcysteic acid
CID 12314046
(2S)-3,3-dimethyl-2-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
CID 170632303
3,3-Dimethyl-2-(2,2,2-trifluoroethylsulfonylamino)butanoic acid
CID 177913261
(2R)-2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 28606732
(2S)-2-(difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 28606738
2-(Difluoromethylsulfonylamino)-3-methylbutanoic acid
CID 43200283
2-(Difluoromethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 43468055
3,3-Dimethyl-2-(trifluoromethylsulfonylamino)butanoic acid
CID 43468112
(2S)-2-(difluoromethylsulfonylamino)-3,3-dimethylbutanoic acid
CID 61141203

Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfonamido)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(methanesulfonamido)-3,3-dimethylbutanoic acid (CID 43468070) is 2-(methanesulfonamido)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(methanesulfonamido)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(methanesulfonamido)-3,3-dimethylbutanoic acid is CC(C)(C)C(NS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-(methanesulfonamido)-3,3-dimethylbutanoic acid?
The InChIKey is FDBMNHWDNXNFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-7(2,3)5(6(9)10)8-13(4,11)12/h5,8H,1-4H3,(H,9,10).
What are the key properties of 2-(methanesulfonamido)-3,3-dimethylbutanoic acid?
2-(methanesulfonamido)-3,3-dimethylbutanoic acid has a molecular weight of 209.27 g/mol, XLogP of 0.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfonamido)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 43468070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).