2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid

C11H21NO4S — CID 81164526

IUPAC2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESCCCCS(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-9-11(5-4-6-11)8-10(13)14/h12H,2-9H2,1H3,(H,13,14)
InChIKeyBQMPOPURWUAVPV-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.35
Rot. Bonds8

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

2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid (PubChem CID 81164526) has the molecular formula C11H21NO4S and a molecular weight of 263.36 g/mol. Its IUPAC name is 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
PubChem CID81164526
Molecular FormulaC11H21NO4S
Molecular Weight263.36 g/mol
Exact Mass263.12
IUPAC Name2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid
SMILESCCCCS(=O)(=O)NCC1(CC(=O)O)CCC1
InChIInChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-9-11(5-4-6-11)8-10(13)14/h12H,2-9H2,1H3,(H,13,14)
InChIKeyBQMPOPURWUAVPV-UHFFFAOYSA-N
XLogP1.35
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[[(3-ethoxy-3-oxopropyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164998
2-[1-[[(2-ethoxy-2-oxoethyl)sulfonylamino]methyl]cyclobutyl]acetic acid
CID 81164883
1-[(butylsulfonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115433192
2-[1-(butylaminomethyl)cyclopentyl]acetic acid
CID 23174791
2-[1-[(methylsulfonylmethylsulfonylamino)methyl]cyclohexyl]acetic acid
CID 82838840
2-[1-[(propan-2-ylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81163633
2-[1-[(trifluoromethylsulfonylamino)methyl]cyclobutyl]acetic acid
CID 81164653
N-[[1-(methylaminomethyl)cyclopropyl]methyl]butane-1-sulfonamide
CID 115267418
2-[1-[(butylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 81164737
2-[1-[(heptanoylamino)methyl]cyclobutyl]acetic acid
CID 81165521
2-[1-(butylsulfonylmethyl)cyclopropyl]acetic acid
CID 65443307
N-[[1-(dimethylamino)cyclopentyl]methyl]butane-1-sulfonamide
CID 131900223

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid (CID 81164526) is 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid is CCCCS(=O)(=O)NCC1(CC(=O)O)CCC1.
What is the InChIKey of 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid?
The InChIKey is BQMPOPURWUAVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4S/c1-2-3-7-17(15,16)12-9-11(5-4-6-11)8-10(13)14/h12H,2-9H2,1H3,(H,13,14).
What are the key properties of 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid?
2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid has a molecular weight of 263.36 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(butylsulfonylamino)methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 81164526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).