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

C11H21NO5S — CID 82763204

IUPAC2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21NO5S/c1-3-17-7-8-18(15,16)12-9-5-4-6-11(9,2)10(13)14/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyJUODFHBWHZXNFM-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.59
Rot. Bonds7

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

2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763204) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763204
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1CCCC1(C)C(=O)O
InChIInChI=1S/C11H21NO5S/c1-3-17-7-8-18(15,16)12-9-5-4-6-11(9,2)10(13)14/h9,12H,3-8H2,1-2H3,(H,13,14)
InChIKeyJUODFHBWHZXNFM-UHFFFAOYSA-N
XLogP0.59
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.59
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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Related Compounds

2-(3-ethoxypropanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760761
2-(4-ethoxybutanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82760687
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
2-(cyclopropylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762373
1-(2-ethoxyethylsulfonylamino)cyclohexane-1-carboxylic acid
CID 55174686
1-methyl-2-(prop-2-enylsulfonylamino)cyclohexane-1-carboxylic acid
CID 83214139
1-methyl-2-(pyrrolidin-1-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 82762598
N-cyclohexyl-2-ethoxyethanesulfonamide
CID 62732931
1-methyl-2-[2-(propylsulfonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 82765524
2-[2-(ethylsulfamoyl)ethylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 106341128
2-[(1,1-dioxothian-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763532
2-[[2-(2-methoxyethoxy)acetyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82760507

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid (CID 82763204) is 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid is CCOCCS(=O)(=O)NC1CCCC1(C)C(=O)O.
What is the InChIKey of 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is JUODFHBWHZXNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-3-17-7-8-18(15,16)12-9-5-4-6-11(9,2)10(13)14/h9,12H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid?
2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).