2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid

C7H13NO5S — CID 103531325

IUPAC2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
SMILESCOC1CCN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C7H13NO5S/c1-13-6-2-3-8(4-6)14(11,12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyHDEMVNHSSZBKTK-UHFFFAOYSA-N
MW223.25 g/mol
LogP-0.88
Rot. Bonds4

About 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid

2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid (PubChem CID 103531325) has the molecular formula C7H13NO5S and a molecular weight of 223.25 g/mol. Its IUPAC name is 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid.

Molecular Properties

Compound Name2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
PubChem CID103531325
Molecular FormulaC7H13NO5S
Molecular Weight223.25 g/mol
Exact Mass223.05
IUPAC Name2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid
SMILESCOC1CCN(S(=O)(=O)CC(=O)O)C1
InChIInChI=1S/C7H13NO5S/c1-13-6-2-3-8(4-6)14(11,12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChIKeyHDEMVNHSSZBKTK-UHFFFAOYSA-N
XLogP-0.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
3-(3-methoxypyrrolidin-1-yl)sulfonylpropan-1-amine
CID 103532634
2-(3-hydroxypiperidin-1-yl)sulfonylacetic acid
CID 43503049
methyl 2-[3-(hydroxymethyl)pyrrolidin-1-yl]sulfonylacetate
CID 62370432
4-(3-methoxypyrrolidin-1-yl)sulfonylthiophene-2-carboxylic acid
CID 103531351
1-[[4-(chloromethyl)phenyl]methylsulfonyl]-3-methoxypyrrolidine
CID 103541220
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]sulfonylacetate
CID 66291556
2-(azetidin-1-ylsulfonyl)acetic acid
CID 43440211
5-[(3R)-3-methoxypyrrolidin-1-yl]sulfonylthiophene-2-carboxylic acid
CID 167188471
2-ethyl-5-(3-methoxypyrrolidin-1-yl)sulfonylbenzoic acid
CID 103531318
2-(4-cyclopropylpiperazin-1-yl)sulfonylacetic acid
CID 60951653
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylsulfonyl)acetic acid
CID 66391152

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid?
The IUPAC name of 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid (CID 103531325) is 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid.
What is the SMILES notation for 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid?
The canonical SMILES for 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid is COC1CCN(S(=O)(=O)CC(=O)O)C1.
What is the InChIKey of 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid?
The InChIKey is HDEMVNHSSZBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO5S/c1-13-6-2-3-8(4-6)14(11,12)5-7(9)10/h6H,2-5H2,1H3,(H,9,10).
What are the key properties of 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid?
2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid has a molecular weight of 223.25 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypyrrolidin-1-yl)sulfonylacetic acid is sourced from PubChem (CID 103531325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).