4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid

C11H21NO5S — CID 66247631

IUPAC4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H21NO5S/c1-4-12(18(15,16)7-8(2)3)10-6-17-5-9(10)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyIJXSUZSOOFZDPR-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.39
Rot. Bonds6

About 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid

4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66247631) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
PubChem CID66247631
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Name4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid
SMILESCCN(C1COCC1C(=O)O)S(=O)(=O)CC(C)C
InChIInChI=1S/C11H21NO5S/c1-4-12(18(15,16)7-8(2)3)10-6-17-5-9(10)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14)
InChIKeyIJXSUZSOOFZDPR-UHFFFAOYSA-N
XLogP0.39
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[methyl(propan-2-yl)sulfamoyl]amino]oxolane-3-carboxylic acid
CID 66245265
4-[propyl(propylsulfonyl)amino]oxolane-3-carboxylic acid
CID 66253214
4-[diethylsulfamoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253595
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[ethoxycarbonylsulfamoyl(ethyl)amino]oxolane-3-carboxylic acid
CID 114462823
4-[ethyl-(4-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245653
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[ethyl-(3-methylpiperidin-1-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66245064
4-[2-methoxyethylsulfonyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252056
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[ethyl-(1-methylpyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66247039

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid (CID 66247631) is 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid is CCN(C1COCC1C(=O)O)S(=O)(=O)CC(C)C.
What is the InChIKey of 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is IJXSUZSOOFZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-4-12(18(15,16)7-8(2)3)10-6-17-5-9(10)11(13)14/h8-10H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid?
4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(2-methylpropylsulfonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).