5-(trifluoromethylsulfonyloxyamino)pentanoic acid

C6H10F3NO5S — CID 90071582

IUPAC5-(trifluoromethylsulfonyloxyamino)pentanoic acid
SMILESO=C(O)CCCCNOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c7-6(8,9)16(13,14)15-10-4-2-1-3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyNCVBILMMZGUTLP-UHFFFAOYSA-N
MW265.21 g/mol
LogP0.61
Rot. Bonds7

About 5-(trifluoromethylsulfonyloxyamino)pentanoic acid

5-(trifluoromethylsulfonyloxyamino)pentanoic acid (PubChem CID 90071582) has the molecular formula C6H10F3NO5S and a molecular weight of 265.21 g/mol. Its IUPAC name is 5-(trifluoromethylsulfonyloxyamino)pentanoic acid.

Molecular Properties

Compound Name5-(trifluoromethylsulfonyloxyamino)pentanoic acid
PubChem CID90071582
Molecular FormulaC6H10F3NO5S
Molecular Weight265.21 g/mol
Exact Mass265.02
IUPAC Name5-(trifluoromethylsulfonyloxyamino)pentanoic acid
SMILESO=C(O)CCCCNOS(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO5S/c7-6(8,9)16(13,14)15-10-4-2-1-3-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyNCVBILMMZGUTLP-UHFFFAOYSA-N
XLogP0.61
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.21
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

5-[[1-(trifluoromethyl)cyclopropyl]amino]pentanoic acid
CID 106215305
7-[(2-methylpropan-2-yl)oxyamino]heptanoic acid
CID 87955978
pentanoic acid;trifluoromethylsulfonyl trifluoromethanesulfonate
CID 159747202
pentanoic acid;trifluoromethanesulfonic acid
CID 158887018
2,2,2-trifluoroacetic acid;4-(trifluoromethylsulfonylamino)butanoic acid
CID 87783255
5-(2-methylpropoxyamino)pentanoic acid
CID 103261565
5-[(2,2-difluoro-3-hydroxypropyl)amino]pentanoic acid
CID 106178221
6-(trifluoromethylcarbamoylamino)hexanoic acid
CID 108865862
5-(cyclopentyloxyamino)pentanoic acid
CID 103262101
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
5-(methylamino)pentanoic acid
CID 91583432
5-hydrazinylpentanoic acid
CID 175506840

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethylsulfonyloxyamino)pentanoic acid?
The IUPAC name of 5-(trifluoromethylsulfonyloxyamino)pentanoic acid (CID 90071582) is 5-(trifluoromethylsulfonyloxyamino)pentanoic acid.
What is the SMILES notation for 5-(trifluoromethylsulfonyloxyamino)pentanoic acid?
The canonical SMILES for 5-(trifluoromethylsulfonyloxyamino)pentanoic acid is O=C(O)CCCCNOS(=O)(=O)C(F)(F)F.
What is the InChIKey of 5-(trifluoromethylsulfonyloxyamino)pentanoic acid?
The InChIKey is NCVBILMMZGUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO5S/c7-6(8,9)16(13,14)15-10-4-2-1-3-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 5-(trifluoromethylsulfonyloxyamino)pentanoic acid?
5-(trifluoromethylsulfonyloxyamino)pentanoic acid has a molecular weight of 265.21 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethylsulfonyloxyamino)pentanoic acid is sourced from PubChem (CID 90071582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).