ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate

C8H15NO5S — CID 62917298

IUPACethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H15NO5S/c1-2-14-8(11)6-15(12,13)9-4-3-7(10)5-9/h7,10H,2-6H2,1H3
InChIKeyFJWNMSWCGMVYKS-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.05
Rot. Bonds4

About ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate

ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate (PubChem CID 62917298) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate.

Molecular Properties

Compound Nameethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
PubChem CID62917298
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Nameethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate
SMILESCCOC(=O)CS(=O)(=O)N1CCC(O)C1
InChIInChI=1S/C8H15NO5S/c1-2-14-8(11)6-15(12,13)9-4-3-7(10)5-9/h7,10H,2-6H2,1H3
InChIKeyFJWNMSWCGMVYKS-UHFFFAOYSA-N
XLogP-1.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
ethyl 2-(4-hydroxy-3-methylpiperidin-1-yl)sulfonylacetate
CID 114501652
ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
ethyl 2-(3,4-dihydroxypyrrolidin-1-yl)sulfonylacetate
CID 106672320
2-[1-(2-ethoxy-2-oxoethyl)sulfonylpiperidin-4-yl]acetic acid
CID 79609171
1-propylsulfonylpyrrolidin-3-ol
CID 62916606
(3S)-1-propylsulfonylpyrrolidin-3-ol
CID 64723970
ethyl 1-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonylpiperidine-3-carboxylate
CID 79031630
1-(methylsulfonylmethylsulfonyl)pyrrolidin-3-ol
CID 82843149
1-(2-aminoethylsulfonyl)pyrrolidin-3-ol
CID 62941538
(2R,4R)-1-(2-ethoxy-2-oxoethyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999845
1-(2-ethoxy-2-oxoethyl)sulfonyl-4-methylpiperidine-4-carboxylic acid
CID 55177374

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate?
The IUPAC name of ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate (CID 62917298) is ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate.
What is the SMILES notation for ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate?
The canonical SMILES for ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate is CCOC(=O)CS(=O)(=O)N1CCC(O)C1.
What is the InChIKey of ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate?
The InChIKey is FJWNMSWCGMVYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-2-14-8(11)6-15(12,13)9-4-3-7(10)5-9/h7,10H,2-6H2,1H3.
What are the key properties of ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate?
ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate has a molecular weight of 237.28 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-hydroxypyrrolidin-1-yl)sulfonylacetate is sourced from PubChem (CID 62917298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).