2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid

C13H24N2O5S — CID 60826442

IUPAC2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)14-10(2)13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyWKGMWVYJUPDRTJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.56
Rot. Bonds8

About 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid

2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid (PubChem CID 60826442) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
PubChem CID60826442
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Name2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid
SMILESCCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C13H24N2O5S/c1-3-8-21(19,20)14-10(2)13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,17)
InChIKeyWKGMWVYJUPDRTJ-UHFFFAOYSA-N
XLogP0.56
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid (CID 60826442) is 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid is CCCS(=O)(=O)NC(C)C(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid?
The InChIKey is WKGMWVYJUPDRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-3-8-21(19,20)14-10(2)13(18)15(9-12(16)17)11-6-4-5-7-11/h10-11,14H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid?
2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid has a molecular weight of 320.41 g/mol, XLogP of 0.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[2-(propylsulfonylamino)propanoyl]amino]acetic acid is sourced from PubChem (CID 60826442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).