2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid

C7H15NO4S — CID 142779495

IUPAC2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCC[C@@H]1CO
InChIInChI=1S/C7H15NO4S/c9-6-7-2-1-3-8(7)4-5-13(10,11)12/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1
InChIKeyDFQJVUZANHJGGY-SSDOTTSWSA-N
MW209.27 g/mol
LogP-0.67
Rot. Bonds4

About 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid

2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid (PubChem CID 142779495) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid.

Molecular Properties

Compound Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
PubChem CID142779495
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid
SMILESO=S(=O)(O)CCN1CCC[C@@H]1CO
InChIInChI=1S/C7H15NO4S/c9-6-7-2-1-3-8(7)4-5-13(10,11)12/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1
InChIKeyDFQJVUZANHJGGY-SSDOTTSWSA-N
XLogP-0.67
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(2-propylsulfonylethyl)pyrrolidin-2-yl]methanol
CID 103857735
[1-[5-[2-(hydroxymethyl)pyrrolidin-1-yl]pentyl]pyrrolidin-2-yl]methanol
CID 111448331
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
[(2R)-1-[2-(4-chlorophenyl)sulfonylethyl]pyrrolidin-2-yl]methanol
CID 62046870
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 62737703
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
CID 141118156
ethane;[1-(2-fluoroethyl)pyrrolidin-2-yl]methanol
CID 164922093
[1-(2-ethylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115645119
[(2S)-1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 103857733
[1-(2-methylsulfanylethyl)pyrrolidin-2-yl]methanol
CID 115613879
3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 45088390
[(2R)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 66262417

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid?
The IUPAC name of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid (CID 142779495) is 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid.
What is the SMILES notation for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid?
The canonical SMILES for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid is O=S(=O)(O)CCN1CCC[C@@H]1CO.
What is the InChIKey of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid?
The InChIKey is DFQJVUZANHJGGY-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H15NO4S/c9-6-7-2-1-3-8(7)4-5-13(10,11)12/h7,9H,1-6H2,(H,10,11,12)/t7-/m1/s1.
What are the key properties of 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid?
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid has a molecular weight of 209.27 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanesulfonic acid is sourced from PubChem (CID 142779495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).