2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid

C8H13F2NO4S — CID 60829622

IUPAC2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO4S/c9-8(10)16(14,15)11(5-7(12)13)6-3-1-2-4-6/h6,8H,1-5H2,(H,12,13)
InChIKeyZTLSCJNLJGPUJG-UHFFFAOYSA-N
MW257.26 g/mol
LogP0.87
Rot. Bonds5

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

2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid (PubChem CID 60829622) has the molecular formula C8H13F2NO4S and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid
PubChem CID60829622
Molecular FormulaC8H13F2NO4S
Molecular Weight257.26 g/mol
Exact Mass257.05
IUPAC Name2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid
SMILESO=C(O)CN(C1CCCC1)S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO4S/c9-8(10)16(14,15)11(5-7(12)13)6-3-1-2-4-6/h6,8H,1-5H2,(H,12,13)
InChIKeyZTLSCJNLJGPUJG-UHFFFAOYSA-N
XLogP0.87
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 50.87
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-[Cyclopentyl(trifluoromethylsulfonyl)amino]acetic acid
CID 60828301
2-[Butan-2-yl(trifluoromethylsulfonyl)amino]acetic acid
CID 60828309
2-[Difluoromethylsulfonyl(propan-2-yl)amino]acetic acid
CID 60828476
2-[Cyclopropyl(difluoromethylsulfonyl)amino]acetic acid
CID 60828521
Methyl 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetate
CID 80707883
2-[Cyclopentyl(4,4,4-trifluorobutylsulfonyl)amino]acetic acid
CID 83067877
2-[Cyclopentylsulfonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 105360897
Methyl 2-[cyclopentyl(trifluoromethylsulfonyl)amino]acetate
CID 113330734
2-[Cyclopentyl(2,2,2-trifluoroethylsulfamoyl)amino]acetic acid
CID 113636693
(2S)-2-[cyclopentyl(methylsulfonyl)amino]propanoic acid
CID 70114740
2-[Cyclopentyl(methylsulfonyl)amino]acetic acid
CID 60828947

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid?
The IUPAC name of 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid (CID 60829622) is 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid is O=C(O)CN(C1CCCC1)S(=O)(=O)C(F)F.
What is the InChIKey of 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid?
The InChIKey is ZTLSCJNLJGPUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO4S/c9-8(10)16(14,15)11(5-7(12)13)6-3-1-2-4-6/h6,8H,1-5H2,(H,12,13).
What are the key properties of 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid?
2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid has a molecular weight of 257.26 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(difluoromethylsulfonyl)amino]acetic acid is sourced from PubChem (CID 60829622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).