(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid

C9H16F3NO4S — CID 122069291

IUPAC(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-6(2)5-7(8(14)15)13-18(16,17)4-3-9(10,11)12/h6-7,13H,3-5H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyUCDUYTGXKLGFKE-SSDOTTSWSA-N
MW291.29 g/mol
LogP1.36
Rot. Bonds7

About (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid

(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid (PubChem CID 122069291) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
PubChem CID122069291
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
SMILESCC(C)C[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-6(2)5-7(8(14)15)13-18(16,17)4-3-9(10,11)12/h6-7,13H,3-5H2,1-2H3,(H,14,15)/t7-/m1/s1
InChIKeyUCDUYTGXKLGFKE-SSDOTTSWSA-N
XLogP1.36
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068023
(2S)-4-methyl-2-(propylsulfonylamino)pentanoic acid
CID 42256033
(2S)-2-(3,3,3-trifluoropropylsulfonylamino)hexanoic acid
CID 122070574
(2S)-4-methyl-2-(methylsulfamoylamino)pentanoic acid
CID 104977832
(2R)-4-methyl-2-(propan-2-ylsulfamoylamino)pentanoic acid
CID 104977908
2-(4,4,4-trifluorobutylsulfonylamino)pent-4-ynoic acid
CID 83068112
4-methyl-2-(5,5,5-trifluoropentylcarbamoylamino)pentanoic acid
CID 115521502
3-hydroxy-2-(4,4,4-trifluorobutylsulfonylamino)butanoic acid
CID 83067949
4-methyl-2-(propylsulfamoylamino)pentanoic acid
CID 114805227
(2S)-2-(3,3-dimethylbutylsulfonylamino)pentanoic acid
CID 104934822
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
4-methyl-2-(2-propan-2-ylsulfonylethylamino)pentanoic acid
CID 106727471

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid (CID 122069291) is (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid is CC(C)C[C@@H](NS(=O)(=O)CCC(F)(F)F)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The InChIKey is UCDUYTGXKLGFKE-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-6(2)5-7(8(14)15)13-18(16,17)4-3-9(10,11)12/h6-7,13H,3-5H2,1-2H3,(H,14,15)/t7-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
(2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid is sourced from PubChem (CID 122069291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).