2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid

C10H19NO3S — CID 103264696

IUPAC2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCNC1CCC1C(=O)O)S(C)=O
InChIInChI=1S/C10H19NO3S/c1-7(15(2)14)5-6-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyUQBRXOPEZJOOHU-UHFFFAOYSA-N
MW233.33 g/mol
LogP0.60
Rot. Bonds6

About 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid

2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid (PubChem CID 103264696) has the molecular formula C10H19NO3S and a molecular weight of 233.33 g/mol. Its IUPAC name is 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
PubChem CID103264696
Molecular FormulaC10H19NO3S
Molecular Weight233.33 g/mol
Exact Mass233.11
IUPAC Name2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid
SMILESCC(CCNC1CCC1C(=O)O)S(C)=O
InChIInChI=1S/C10H19NO3S/c1-7(15(2)14)5-6-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyUQBRXOPEZJOOHU-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

Analyze 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S,4R)-2,4-dimethyl-N-[(3R)-3-[(R)-methylsulfinyl]butyl]cyclohexan-1-amine
CID 99854373
2-(propylamino)cyclobutane-1-carboxylic acid
CID 103235108
2-(3-phenylbutylamino)cyclobutane-1-carboxylic acid
CID 103250718
2-(3-methoxypropylamino)cyclobutane-1-carboxylic acid
CID 103237165
2-methylsulfanyl-N-(3-methylsulfinylbutyl)cyclohexan-1-amine
CID 115894507
2-(4-methylsulfinylbutan-2-ylamino)cyclobutane-1-carboxylic acid
CID 103267849
2-(2-fluoroethylamino)cyclobutane-1-carboxylic acid
CID 130504698
2-[[3-(2-methylpropylamino)-3-oxopropyl]amino]cyclobutane-1-carboxylic acid
CID 103263385
2-[(3-methoxy-3-oxopropyl)amino]cyclobutane-1-carboxylic acid
CID 103240382
N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 113490412
2-(3-cyclopentylpropylamino)cyclobutane-1-carboxylic acid
CID 106004248
2-(2-pyrrolidin-1-ylethylamino)cyclobutane-1-carboxylic acid
CID 103248849

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid (CID 103264696) is 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid is CC(CCNC1CCC1C(=O)O)S(C)=O.
What is the InChIKey of 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid?
The InChIKey is UQBRXOPEZJOOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3S/c1-7(15(2)14)5-6-11-9-4-3-8(9)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid?
2-(3-methylsulfinylbutylamino)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-(3-methylsulfinylbutylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 103264696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).