3-amino-3-cyclopentylsulfonylpropanoic acid

C8H15NO4S — CID 117037444

IUPAC3-amino-3-cyclopentylsulfonylpropanoic acid
SMILESNC(CC(=O)O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c9-7(5-8(10)11)14(12,13)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)
InChIKeyYKYDJBYRZBMHOJ-UHFFFAOYSA-N
MW221.28 g/mol
LogP0.10
Rot. Bonds4

About 3-amino-3-cyclopentylsulfonylpropanoic acid

3-amino-3-cyclopentylsulfonylpropanoic acid (PubChem CID 117037444) has the molecular formula C8H15NO4S and a molecular weight of 221.28 g/mol. Its IUPAC name is 3-amino-3-cyclopentylsulfonylpropanoic acid.

Molecular Properties

Compound Name3-amino-3-cyclopentylsulfonylpropanoic acid
PubChem CID117037444
Molecular FormulaC8H15NO4S
Molecular Weight221.28 g/mol
Exact Mass221.07
IUPAC Name3-amino-3-cyclopentylsulfonylpropanoic acid
SMILESNC(CC(=O)O)S(=O)(=O)C1CCCC1
InChIInChI=1S/C8H15NO4S/c9-7(5-8(10)11)14(12,13)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11)
InChIKeyYKYDJBYRZBMHOJ-UHFFFAOYSA-N
XLogP0.10
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopentylsulfonylpropanoic acid?
The IUPAC name of 3-amino-3-cyclopentylsulfonylpropanoic acid (CID 117037444) is 3-amino-3-cyclopentylsulfonylpropanoic acid.
What is the SMILES notation for 3-amino-3-cyclopentylsulfonylpropanoic acid?
The canonical SMILES for 3-amino-3-cyclopentylsulfonylpropanoic acid is NC(CC(=O)O)S(=O)(=O)C1CCCC1.
What is the InChIKey of 3-amino-3-cyclopentylsulfonylpropanoic acid?
The InChIKey is YKYDJBYRZBMHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4S/c9-7(5-8(10)11)14(12,13)6-3-1-2-4-6/h6-7H,1-5,9H2,(H,10,11).
What are the key properties of 3-amino-3-cyclopentylsulfonylpropanoic acid?
3-amino-3-cyclopentylsulfonylpropanoic acid has a molecular weight of 221.28 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopentylsulfonylpropanoic acid is sourced from PubChem (CID 117037444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).