1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid

C10H19NO5S — CID 63245506

IUPAC1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-10(9(12)13)5-3-4-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyLMKRMFLRIGGLFT-UHFFFAOYSA-N
MW265.33 g/mol
LogP0.34
Rot. Bonds7

About 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid

1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid (PubChem CID 63245506) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
PubChem CID63245506
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-10(9(12)13)5-3-4-6-10/h11H,2-8H2,1H3,(H,12,13)
InChIKeyLMKRMFLRIGGLFT-UHFFFAOYSA-N
XLogP0.34
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid (CID 63245506) is 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid is CCOCCS(=O)(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is LMKRMFLRIGGLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5S/c1-2-16-7-8-17(14,15)11-10(9(12)13)5-3-4-6-10/h11H,2-8H2,1H3,(H,12,13).
What are the key properties of 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid?
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63245506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).