2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid

C11H14N2O4S — CID 43341802

IUPAC2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1cccnc1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N2O4S/c1-11(10(14)15,8-4-5-8)13-18(16,17)9-3-2-6-12-7-9/h2-3,6-8,13H,4-5H2,1H3,(H,14,15)
InChIKeyLLKLZLJQKZSJSJ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.61
Rot. Bonds5

About 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid

2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid (PubChem CID 43341802) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid
PubChem CID43341802
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid
SMILESCC(NS(=O)(=O)c1cccnc1)(C(=O)O)C1CC1
InChIInChI=1S/C11H14N2O4S/c1-11(10(14)15,8-4-5-8)13-18(16,17)9-3-2-6-12-7-9/h2-3,6-8,13H,4-5H2,1H3,(H,14,15)
InChIKeyLLKLZLJQKZSJSJ-UHFFFAOYSA-N
XLogP0.61
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid (CID 43341802) is 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid is CC(NS(=O)(=O)c1cccnc1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid?
The InChIKey is LLKLZLJQKZSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-11(10(14)15,8-4-5-8)13-18(16,17)9-3-2-6-12-7-9/h2-3,6-8,13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid?
2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid has a molecular weight of 270.31 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(pyridin-3-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 43341802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).