2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid

C10H19NO4S — CID 81163633

IUPAC2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESCC(C)S(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H19NO4S/c1-8(2)16(14,15)11-7-10(4-3-5-10)6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyUOCXMBQQCROAHG-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.96
Rot. Bonds6

About 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid

2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81163633) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81163633
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Name2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESCC(C)S(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C10H19NO4S/c1-8(2)16(14,15)11-7-10(4-3-5-10)6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyUOCXMBQQCROAHG-UHFFFAOYSA-N
XLogP0.96
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylpropylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814504
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164526
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
N-[(1-propylcyclopropyl)methyl]propane-2-sulfonamide
CID 103761867
2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
2-[1-[[(1-methylcyclopentyl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81162365
2-[1-[[[(2R)-2-amino-3-methylbutanoyl]amino]methyl]cyclobutyl]acetic acid
CID 81161542
2-[1-[[(3,5-dichlorophenyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164357
2-[1-[(2-methoxyethylsulfamoylamino)methyl]cyclohexyl]acetic acid
CID 114814505
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylsulfamoyl]propanoate
CID 103969014

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid (CID 81163633) is 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid is CC(C)S(=O)(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is UOCXMBQQCROAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-8(2)16(14,15)11-7-10(4-3-5-10)6-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 249.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81163633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).