methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate

C8H15NO5S — CID 62370432

IUPACmethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H15NO5S/c1-14-8(11)6-15(12,13)9-3-2-7(4-9)5-10/h7,10H,2-6H2,1H3
InChIKeyQCJBZLQFBHYPGZ-UHFFFAOYSA-N
MW237.28 g/mol
LogP-1.20
Rot. Bonds4

About methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate

methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate (PubChem CID 62370432) has the molecular formula C8H15NO5S and a molecular weight of 237.28 g/mol. Its IUPAC name is methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
PubChem CID62370432
Molecular FormulaC8H15NO5S
Molecular Weight237.28 g/mol
Exact Mass237.07
IUPAC Namemethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CCC(CO)C1
InChIInChI=1S/C8H15NO5S/c1-14-8(11)6-15(12,13)9-3-2-7(4-9)5-10/h7,10H,2-6H2,1H3
InChIKeyQCJBZLQFBHYPGZ-UHFFFAOYSA-N
XLogP-1.20
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 ≤ 5-1.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62371349
methyl 4-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylbutanoate
CID 62371167
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
2-[[1-(2-methoxy-2-oxoethyl)sulfonylpiperidin-3-yl]methylamino]acetic acid
CID 106813726
[1-(cyclopropylmethylsulfonyl)pyrrolidin-3-yl]methanol
CID 64987457
methyl 2-(4-benzylpiperidin-1-yl)sulfonylacetate
CID 22052581
methyl 3-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonylpropanoate
CID 55168861
3-(hydroxymethyl)-N-(2-methoxyethyl)pyrrolidine-1-sulfonamide
CID 114815642
methyl 2-[4-[(butan-2-yloxycarbonylamino)methyl]piperidin-1-yl]sulfonylacetate
CID 172762241
methyl 4-(2-methoxy-2-oxoethyl)sulfonylmorpholine-2-carboxylate
CID 78996026
methyl 3-[[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylmethyl]benzoate
CID 62370442
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
CID 103531325

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate (CID 62370432) is methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CCC(CO)C1.
What is the InChIKey of methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate?
The InChIKey is QCJBZLQFBHYPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5S/c1-14-8(11)6-15(12,13)9-3-2-7(4-9)5-10/h7,10H,2-6H2,1H3.
What are the key properties of methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate?
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate has a molecular weight of 237.28 g/mol, XLogP of -1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate is sourced from PubChem (CID 62370432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).