2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid

C7H11F2NO6S — CID 82786234

IUPAC2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO6S/c1-16-5(11)3-2-4(6(12)13)10-17(14,15)7(8)9/h4,7,10H,2-3H2,1H3,(H,12,13)
InChIKeyOBFGECHXNSMHRL-UHFFFAOYSA-N
MW275.23 g/mol
LogP-0.47
Rot. Bonds7

About 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid

2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 82786234) has the molecular formula C7H11F2NO6S and a molecular weight of 275.23 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID82786234
Molecular FormulaC7H11F2NO6S
Molecular Weight275.23 g/mol
Exact Mass275.03
IUPAC Name2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H11F2NO6S/c1-16-5(11)3-2-4(6(12)13)10-17(14,15)7(8)9/h4,7,10H,2-3H2,1H3,(H,12,13)
InChIKeyOBFGECHXNSMHRL-UHFFFAOYSA-N
XLogP-0.47
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Aminopentanedioic acid;trifluoromethanesulfonic acid
CID 174852384
2-(Difluoromethylsulfonylamino)pentanoic acid
CID 43631252
2-(Trifluoromethylsulfonylamino)pentanoic acid
CID 43631272
(2S)-2-(trifluoromethylsulfonylamino)pentanedioic acid
CID 53362707
2-(Trifluoromethylsulfonylamino)pentanedioic acid
CID 54925737
2-(Difluoromethylsulfonylamino)pentanedioic acid
CID 60829299
(2S)-2-(difluoromethylsulfonylamino)pentanedioic acid
CID 61145219
4-(Trifluoromethylsulfonylamino)pentanoic acid
CID 64096942
4-(Difluoromethylsulfonylamino)pentanoic acid
CID 64097344
2-(Difluoromethylsulfonylamino)-5-methoxypentanoic acid
CID 81078135
5-Methoxy-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 81078399
5-Methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 82787311

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid (CID 82786234) is 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is OBFGECHXNSMHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO6S/c1-16-5(11)3-2-4(6(12)13)10-17(14,15)7(8)9/h4,7,10H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid?
2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 275.23 g/mol, XLogP of -0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82786234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).