4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid

C9H17NO6S — CID 66238477

IUPAC4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H17NO6S/c1-2-15-3-4-17(13,14)10-8-6-16-5-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJKISARRKHWXDFS-UHFFFAOYSA-N
MW267.30 g/mol
LogP-0.96
Rot. Bonds7

About 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid

4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid (PubChem CID 66238477) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
PubChem CID66238477
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid
SMILESCCOCCS(=O)(=O)NC1COCC1C(=O)O
InChIInChI=1S/C9H17NO6S/c1-2-15-3-4-17(13,14)10-8-6-16-5-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyJKISARRKHWXDFS-UHFFFAOYSA-N
XLogP-0.96
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-ethoxyethyl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 81056904
4-(oxolan-2-ylmethylsulfonylamino)oxolane-3-carboxylic acid
CID 66239876
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884
2-ethoxy-N-(3-methylpiperidin-4-yl)ethanesulfonamide
CID 79886103
N-cyclohexyl-2-ethoxyethanesulfonamide
CID 62732931
2-ethoxy-N-(4-oxocyclohexyl)ethanesulfonamide
CID 63245791
2-ethoxy-N-[(4S)-4-methoxypyrrolidin-3-yl]ethanesulfonamide
CID 63246934
2-(2-ethoxyethylsulfonylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82763204
2-ethoxy-N-[(1S,2R)-2-(3-methylbutyl)cyclopentyl]ethanesulfonamide
CID 95265275
2-ethoxy-1-[4-(methylamino)oxolan-3-yl]ethanone
CID 116561302
1-(2-ethoxyethylsulfonylamino)cyclopentane-1-carboxylic acid
CID 63245506
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid?
The IUPAC name of 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid (CID 66238477) is 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid is CCOCCS(=O)(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid?
The InChIKey is JKISARRKHWXDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO6S/c1-2-15-3-4-17(13,14)10-8-6-16-5-7(8)9(11)12/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid?
4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid has a molecular weight of 267.30 g/mol, XLogP of -0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfonylamino)oxolane-3-carboxylic acid is sourced from PubChem (CID 66238477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).