2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid

C11H19NO6S — CID 61457091

IUPAC2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12(7-10(13)14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYHJLFKBDXDTQFZ-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.21
Rot. Bonds7

About 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid

2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid (PubChem CID 61457091) has the molecular formula C11H19NO6S and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
PubChem CID61457091
Molecular FormulaC11H19NO6S
Molecular Weight293.34 g/mol
Exact Mass293.09
IUPAC Name2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid
SMILESCCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCCC1
InChIInChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12(7-10(13)14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,14)
InChIKeyYHJLFKBDXDTQFZ-UHFFFAOYSA-N
XLogP0.21
TPSA100.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The IUPAC name of 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid (CID 61457091) is 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid is CCOC(=O)CS(=O)(=O)N(CC(=O)O)C1CCCC1.
What is the InChIKey of 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
The InChIKey is YHJLFKBDXDTQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO6S/c1-2-18-11(15)8-19(16,17)12(7-10(13)14)9-5-3-4-6-9/h9H,2-8H2,1H3,(H,13,14).
What are the key properties of 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid?
2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid has a molecular weight of 293.34 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-(2-ethoxy-2-oxoethyl)sulfonylamino]acetic acid is sourced from PubChem (CID 61457091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).