2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid

C7H12F3NO4S — CID 43619261

IUPAC2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-3-4-6(2,5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyMJIGXIWOKPZVKA-UHFFFAOYSA-N
MW263.24 g/mol
LogP1.07
Rot. Bonds5

About 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid

2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid (PubChem CID 43619261) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
PubChem CID43619261
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
SMILESCCCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O
InChIInChI=1S/C7H12F3NO4S/c1-3-4-6(2,5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13)
InChIKeyMJIGXIWOKPZVKA-UHFFFAOYSA-N
XLogP1.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-trifluoromethanesulfonyl leucine
CID 61156557
4-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 5247422
3-Methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 43361323
N-(Trifluoromethylsulfonyl)-L-isoleucine
CID 61136297
(2S)-3-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 61173473
[(1S)-1-carboxy-3-methylbutyl]-(trifluoromethylsulfonyl)azanide
CID 102184905
(2R)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 28606706
(2S)-2-(difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 28606710
(2S,3S)-2-(difluoromethylsulfonylamino)-3-methylpentanoic acid
CID 28606784
1-(Difluoromethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 43163289
2-Cyclopropyl-2-(difluoromethylsulfonylamino)propanoic acid
CID 43163308
2-(Difluoromethylsulfonylamino)-4-methylpentanoic acid
CID 43200280

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid?
The IUPAC name of 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid (CID 43619261) is 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid is CCCC(C)(NS(=O)(=O)C(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid?
The InChIKey is MJIGXIWOKPZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-3-4-6(2,5(12)13)11-16(14,15)7(8,9)10/h11H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid?
2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid has a molecular weight of 263.24 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethylsulfonylamino)pentanoic acid is sourced from PubChem (CID 43619261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).