methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate

C7H13NO5S — CID 66291556

IUPACmethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H13NO5S/c1-13-7(10)5-14(11,12)8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyAIEUHZZKFMQQPN-ZCFIWIBFSA-N
MW223.25 g/mol
LogP-1.44
Rot. Bonds3

About methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate

methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate (PubChem CID 66291556) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate.

Molecular Properties

Compound Namemethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
PubChem CID66291556
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Namemethyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
SMILESCOC(=O)CS(=O)(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H13NO5S/c1-13-7(10)5-14(11,12)8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1
InChIKeyAIEUHZZKFMQQPN-ZCFIWIBFSA-N
XLogP-1.44
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-1.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate?
The IUPAC name of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate (CID 66291556) is methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate.
What is the SMILES notation for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate?
The canonical SMILES for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate is COC(=O)CS(=O)(=O)N1CC[C@@H](O)C1.
What is the InChIKey of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate?
The InChIKey is AIEUHZZKFMQQPN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-13-7(10)5-14(11,12)8-3-2-6(9)4-8/h6,9H,2-5H2,1H3/t6-/m1/s1.
What are the key properties of methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate?
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate has a molecular weight of 223.25 g/mol, XLogP of -1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate is sourced from PubChem (CID 66291556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).