3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid

C7H13NO4S — CID 69261986

IUPAC3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CNC1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)4-8-6-2-5(3-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyOUSBLWWGKQEUMB-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.56
Rot. Bonds4

About 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid

3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid (PubChem CID 69261986) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid
PubChem CID69261986
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid
SMILESCS(=O)(=O)CNC1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO4S/c1-13(11,12)4-8-6-2-5(3-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)
InChIKeyOUSBLWWGKQEUMB-UHFFFAOYSA-N
XLogP-0.56
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1s,3s)-3-Methanesulfonamidocyclobutane-1-carboxylic acid
CID 69261834
3-[Methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
CID 69261981

Frequently Asked Questions

What is the IUPAC name of 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid?
The IUPAC name of 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid (CID 69261986) is 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid is CS(=O)(=O)CNC1CC(C(=O)O)C1.
What is the InChIKey of 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid?
The InChIKey is OUSBLWWGKQEUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-13(11,12)4-8-6-2-5(3-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid?
3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of -0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylsulfonylmethylamino)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 69261986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).