2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid

C8H12F3NO4S — CID 60828301

IUPAC2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12(5-7(13)14)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyLKGUFEYMQIAEDL-UHFFFAOYSA-N
MW275.25 g/mol
LogP1.17
Rot. Bonds4

About 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid

2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid (PubChem CID 60828301) has the molecular formula C8H12F3NO4S and a molecular weight of 275.25 g/mol. Its IUPAC name is 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid
PubChem CID60828301
Molecular FormulaC8H12F3NO4S
Molecular Weight275.25 g/mol
Exact Mass275.04
IUPAC Name2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12(5-7(13)14)6-3-1-2-4-6/h6H,1-5H2,(H,13,14)
InChIKeyLKGUFEYMQIAEDL-UHFFFAOYSA-N
XLogP1.17
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[Butan-2-yl(difluoromethylsulfonyl)amino]acetic acid
CID 60828136
2-[Butan-2-yl(trifluoromethylsulfonyl)amino]acetic acid
CID 60828309
2-[Cyclopropyl(trifluoromethylsulfonyl)amino]acetic acid
CID 60828683
2-[Cyclopentyl(difluoromethylsulfonyl)amino]acetic acid
CID 60829622
Methyl 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetate
CID 80707883
2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83067877
Methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
2-[Cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 113636693
2-[Cyclopentyl(methylsulfonyl)amino]acetic acid
CID 60828947

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid (CID 60828301) is 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid?
The InChIKey is LKGUFEYMQIAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO4S/c9-8(10,11)17(15,16)12(5-7(13)14)6-3-1-2-4-6/h6H,1-5H2,(H,13,14).
What are the key properties of 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid?
2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid has a molecular weight of 275.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60828301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).