2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid

C11H19F3N2O4S — CID 122070372

IUPAC2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)C(C)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O4S/c1-3-16(6-10(17)18)9-4-8(5-9)15-21(19,20)7(2)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyQBIMSBPSXDPDFV-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.79
Rot. Bonds7

About 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid

2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid (PubChem CID 122070372) has the molecular formula C11H19F3N2O4S and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
PubChem CID122070372
Molecular FormulaC11H19F3N2O4S
Molecular Weight332.34 g/mol
Exact Mass332.10
IUPAC Name2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
SMILESCCN(CC(=O)O)C1CC(NS(=O)(=O)C(C)C(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O4S/c1-3-16(6-10(17)18)9-4-8(5-9)15-21(19,20)7(2)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,17,18)
InChIKeyQBIMSBPSXDPDFV-UHFFFAOYSA-N
XLogP0.79
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropylmethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid
CID 122071918
2-[[3-(cyclobutylmethylsulfonylamino)cyclobutyl]-ethylamino]acetic acid
CID 122070345
2-[ethyl-[3-[[3-methyl-4-(trifluoromethyl)phenyl]sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070515
2-[ethyl-[3-[(3-methyl-2-propan-2-ylbutyl)amino]cyclobutyl]amino]acetic acid
CID 122042252
2-[ethyl-[3-[[(2S)-1-[methyl(propan-2-yl)amino]propan-2-yl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122014720
2-[[3-[(3-tert-butylcyclobutyl)amino]cyclobutyl]-ethylamino]acetic acid
CID 122042136
2-[ethyl-[3-[(3-phenylphenyl)sulfonylamino]cyclobutyl]amino]acetic acid
CID 122070489
2-[ethyl-[3-[(4,4,4-trifluoro-3-methoxybutyl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122011326
2-[[3-(cyclooctylamino)cyclobutyl]-ethylamino]acetic acid
CID 122042803
2-[ethyl-[3-[[oxolan-3-yl(propan-2-yl)carbamoyl]amino]cyclobutyl]amino]acetic acid
CID 122026572
2-[ethyl-[3-(1-methylsulfanylpropan-2-ylcarbamoylamino)cyclobutyl]amino]acetic acid
CID 122002901
2-[[3-[[(1R)-1-cyclopropylethyl]carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122026475

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid (CID 122070372) is 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid is CCN(CC(=O)O)C1CC(NS(=O)(=O)C(C)C(F)(F)F)C1.
What is the InChIKey of 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid?
The InChIKey is QBIMSBPSXDPDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O4S/c1-3-16(6-10(17)18)9-4-8(5-9)15-21(19,20)7(2)11(12,13)14/h7-9,15H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid?
2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid has a molecular weight of 332.34 g/mol, XLogP of 0.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[3-(1,1,1-trifluoropropan-2-ylsulfonylamino)cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122070372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).