6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

C11H13N3O5S — CID 168682617

IUPAC6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17)(H2,12,18,19)
InChIKeyIQBQNQWHYDHHLM-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.58
Rot. Bonds4

About 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid

6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (PubChem CID 168682617) has the molecular formula C11H13N3O5S and a molecular weight of 299.31 g/mol. Its IUPAC name is 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
PubChem CID168682617
Molecular FormulaC11H13N3O5S
Molecular Weight299.31 g/mol
Exact Mass299.06
IUPAC Name6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
SMILESNS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)O)cn2)C1
InChIInChI=1S/C11H13N3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17)(H2,12,18,19)
InChIKeyIQBQNQWHYDHHLM-UHFFFAOYSA-N
XLogP-0.58
TPSA130.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid (CID 168682617) is 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is NS(=O)(=O)CC1CC(=O)N(c2ccc(C(=O)O)cn2)C1.
What is the InChIKey of 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is IQBQNQWHYDHHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5S/c12-20(18,19)6-7-3-10(15)14(5-7)9-2-1-8(4-13-9)11(16)17/h1-2,4,7H,3,5-6H2,(H,16,17)(H2,12,18,19).
What are the key properties of 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid?
6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 299.31 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-oxo-4-(sulfamoylmethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 168682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).