2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid

C10H19NO3S — CID 103267849

IUPAC2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCS(C)=O)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(5-6-15(2)14)11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyCLAPCKNRVUGIHY-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.60
Rot. Bonds6

About 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid

2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid (PubChem CID 103267849) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
PubChem CID103267849
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCS(C)=O)NC1CCC1C(=O)O
InChIInChI=1S/C10H19NO3S/c1-7(5-6-15(2)14)11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyCLAPCKNRVUGIHY-UHFFFAOYSA-N
XLogP0.60
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methylsulfinylbutan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 113493690
2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
CID 103264696
2-ethyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115997493
2-(3-methylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103230437
2-(1-piperidin-1-ylpropan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103247689
2-methylsulfanyl-N-(4-methylsulfinylbutan-2-yl)cyclohexan-1-amine
CID 115893163
2-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 79694697
1-cyclohexyl-3-(4-methylsulfinylbutan-2-yl)urea
CID 115698103
tert-butyl N-[3-(4-methylsulfinylbutan-2-ylamino)cyclohexyl]carbamate
CID 104866904
(2S)-4-hydroxy-1-(4-methylsulfinylbutan-2-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 113493669
2-(1-hydroxypentan-3-ylamino)cyclobutane-1-carboxylic acid
CID 103267745
4-[(4-methylsulfinylbutan-2-ylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 104963958

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid (CID 103267849) is 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid is CC(CCS(C)=O)NC1CCC1C(=O)O.
What is the InChIKey of 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
The InChIKey is CLAPCKNRVUGIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(5-6-15(2)14)11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid?
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid has a molecular weight of 233.33 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103267849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).