3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid

C7H13NO4S — CID 69261981

IUPAC3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(C1CC(C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-8(13(2,11)12)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOYFWHKBDSDNOGL-UHFFFAOYSA-N
MW207.25 g/mol
LogP-0.26
Rot. Bonds3

About 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid

3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 69261981) has the molecular formula C7H13NO4S and a molecular weight of 207.25 g/mol. Its IUPAC name is 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID69261981
Molecular FormulaC7H13NO4S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
SMILESCN(C1CC(C(=O)O)C1)S(C)(=O)=O
InChIInChI=1S/C7H13NO4S/c1-8(13(2,11)12)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOYFWHKBDSDNOGL-UHFFFAOYSA-N
XLogP-0.26
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid (CID 69261981) is 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid is CN(C1CC(C(=O)O)C1)S(C)(=O)=O.
What is the InChIKey of 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is OYFWHKBDSDNOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4S/c1-8(13(2,11)12)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid?
3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 207.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 69261981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).