3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid

C12H23NO5S — CID 122068314

IUPAC3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid
SMILESCC(COC1CCCC1)CS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C12H23NO5S/c1-10(8-18-11-4-2-3-5-11)9-19(16,17)13-7-6-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyWYPPSOXUKIDZQR-UHFFFAOYSA-N
MW293.38 g/mol
LogP0.98
Rot. Bonds9

About 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid

3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid (PubChem CID 122068314) has the molecular formula C12H23NO5S and a molecular weight of 293.38 g/mol. Its IUPAC name is 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid
PubChem CID122068314
Molecular FormulaC12H23NO5S
Molecular Weight293.38 g/mol
Exact Mass293.13
IUPAC Name3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid
SMILESCC(COC1CCCC1)CS(=O)(=O)NCCC(=O)O
InChIInChI=1S/C12H23NO5S/c1-10(8-18-11-4-2-3-5-11)9-19(16,17)13-7-6-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyWYPPSOXUKIDZQR-UHFFFAOYSA-N
XLogP0.98
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid?
The IUPAC name of 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid (CID 122068314) is 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid?
The canonical SMILES for 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid is CC(COC1CCCC1)CS(=O)(=O)NCCC(=O)O.
What is the InChIKey of 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid?
The InChIKey is WYPPSOXUKIDZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO5S/c1-10(8-18-11-4-2-3-5-11)9-19(16,17)13-7-6-12(14)15/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid?
3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid has a molecular weight of 293.38 g/mol, XLogP of 0.98, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopentyloxy-2-methylpropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122068314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).