2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid

C7H13F2NO5S — CID 81078135

IUPAC2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO5S/c1-15-4-2-3-5(6(11)12)10-16(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12)
InChIKeyUXFBQUIGGYINSP-UHFFFAOYSA-N
MW261.25 g/mol
LogP0.01
Rot. Bonds8

About 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid

2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid (PubChem CID 81078135) has the molecular formula C7H13F2NO5S and a molecular weight of 261.25 g/mol. Its IUPAC name is 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid
PubChem CID81078135
Molecular FormulaC7H13F2NO5S
Molecular Weight261.25 g/mol
Exact Mass261.05
IUPAC Name2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid
SMILESCOCCCC(NS(=O)(=O)C(F)F)C(=O)O
InChIInChI=1S/C7H13F2NO5S/c1-15-4-2-3-5(6(11)12)10-16(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12)
InChIKeyUXFBQUIGGYINSP-UHFFFAOYSA-N
XLogP0.01
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(Difluoromethylsulfonylamino)pentanoic acid
CID 64097344
5-Methoxy-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 81078399
2-(Difluoromethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786234
5-Methoxy-5-oxo-2-(trifluoromethylsulfonylamino)pentanoic acid
CID 82787311
5-Methoxy-5-oxo-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83046757
5-Methoxy-2-(4,4,4-trifluorobutylsulfonylamino)pentanoic acid
CID 83068110

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid?
The IUPAC name of 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid (CID 81078135) is 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid.
What is the SMILES notation for 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid?
The canonical SMILES for 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid is COCCCC(NS(=O)(=O)C(F)F)C(=O)O.
What is the InChIKey of 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid?
The InChIKey is UXFBQUIGGYINSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO5S/c1-15-4-2-3-5(6(11)12)10-16(13,14)7(8)9/h5,7,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid?
2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid has a molecular weight of 261.25 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonylamino)-5-methoxypentanoic acid is sourced from PubChem (CID 81078135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).