2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

C12H20N2O5S — CID 168716627

IUPAC2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C12H20N2O5S/c13-20(18,19)9-6-10(15)14(7-9)11(12(16)17)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,16,17)(H2,13,18,19)
InChIKeyOBCBCQSPHSPYFB-UHFFFAOYSA-N
MW304.37 g/mol
LogP-0.09
Rot. Bonds4

About 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid

2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (PubChem CID 168716627) has the molecular formula C12H20N2O5S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
PubChem CID168716627
Molecular FormulaC12H20N2O5S
Molecular Weight304.37 g/mol
Exact Mass304.11
IUPAC Name2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
SMILESNS(=O)(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1
InChIInChI=1S/C12H20N2O5S/c13-20(18,19)9-6-10(15)14(7-9)11(12(16)17)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,16,17)(H2,13,18,19)
InChIKeyOBCBCQSPHSPYFB-UHFFFAOYSA-N
XLogP-0.09
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-2-cyclohexylacetic acid
CID 168695813
(2S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716442
3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716429
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
CID 168716351
2-cyclopentyl-2-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 168661742
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
2-cyclohexyl-2-(2,7-dioxoazepan-1-yl)acetic acid
CID 61015441
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
(2S)-2-cyclopropyl-2-(4-ethenyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168683792

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The IUPAC name of 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid (CID 168716627) is 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The canonical SMILES for 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is NS(=O)(=O)C1CC(=O)N(C(C(=O)O)C2CCCCC2)C1.
What is the InChIKey of 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
The InChIKey is OBCBCQSPHSPYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5S/c13-20(18,19)9-6-10(15)14(7-9)11(12(16)17)8-4-2-1-3-5-8/h8-9,11H,1-7H2,(H,16,17)(H2,13,18,19).
What are the key properties of 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid?
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid has a molecular weight of 304.37 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid is sourced from PubChem (CID 168716627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).