2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid

C9H16F3NO4S — CID 83068764

IUPAC2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-2-4-7(8(14)15)13-18(16,17)6-3-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15)
InChIKeyVXZPMUKUJXDOND-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.50
Rot. Bonds8

About 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid

2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (PubChem CID 83068764) has the molecular formula C9H16F3NO4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
PubChem CID83068764
Molecular FormulaC9H16F3NO4S
Molecular Weight291.29 g/mol
Exact Mass291.08
IUPAC Name2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O
InChIInChI=1S/C9H16F3NO4S/c1-2-4-7(8(14)15)13-18(16,17)6-3-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15)
InChIKeyVXZPMUKUJXDOND-UHFFFAOYSA-N
XLogP1.50
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(s)-4-(2,2,3,3,4,4,5,5-Octafluoropentoxysulfonyl)-2-aminobutanoic acid
CID 129801881
2-Amino-5-sulfopentanoic acid
CID 85801360
(2R)-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068615
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289497
2-Amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289633
2-(Butylsulfonylamino)-6,6,6-trifluorohexanoic acid
CID 88045967
2-(2,2,2-Trifluoroethylsulfonylamino)propanoic acid
CID 141012962
2-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 144230644
(2S)-2-(2,2-difluoropropylsulfonylamino)-3,3-dimethylbutanoic acid
CID 178440161
2-Amino-5-(diethylsulfamoyl)pentanoic acid
CID 135045022
2-Amino-3-(2,2,3,3,4,4,5,5-octafluoropentoxysulfonyl)propanoic acid
CID 3564802
4-Methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonylamino)pentanoic acid
CID 10525761

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid (CID 83068764) is 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is CCCC(NS(=O)(=O)CCCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
The InChIKey is VXZPMUKUJXDOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO4S/c1-2-4-7(8(14)15)13-18(16,17)6-3-5-9(10,11)12/h7,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid?
2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid has a molecular weight of 291.29 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid is sourced from PubChem (CID 83068764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).