2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid

C8H14F3NO4S — CID 122070101

IUPAC2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-3-6(7(13)14)12-17(15,16)5-4-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyBVKGIMUDMLRBBB-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.11
Rot. Bonds7

About 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid

2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid (PubChem CID 122070101) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
PubChem CID122070101
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid
SMILESCCCC(NS(=O)(=O)CCC(F)(F)F)C(=O)O
InChIInChI=1S/C8H14F3NO4S/c1-2-3-6(7(13)14)12-17(15,16)5-4-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14)
InChIKeyBVKGIMUDMLRBBB-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59854248
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CID 129801881
2-Amino-5-sulfopentanoic acid
CID 85801360
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
(2R)-2-(4,4,4-trifluorobutylsulfonylamino)propanoic acid
CID 83068615
5-Amino-2-(difluoromethylsulfonylamino)pentanoic acid
CID 87217395
(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
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CID 87289633

Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The IUPAC name of 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid (CID 122070101) is 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid.
What is the SMILES notation for 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The canonical SMILES for 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid is CCCC(NS(=O)(=O)CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
The InChIKey is BVKGIMUDMLRBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-2-3-6(7(13)14)12-17(15,16)5-4-8(9,10)11/h6,12H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid?
2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid has a molecular weight of 277.26 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylsulfonylamino)pentanoic acid is sourced from PubChem (CID 122070101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).