3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid

C8H14N2O6S — CID 168716351

IUPAC3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
SMILESCC(O)C(C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H14N2O6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)(H2,9,15,16)
InChIKeyNRAUFKZRWBWJDI-UHFFFAOYSA-N
MW266.27 g/mol
LogP-2.29
Rot. Bonds4

About 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid

3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid (PubChem CID 168716351) has the molecular formula C8H14N2O6S and a molecular weight of 266.27 g/mol. Its IUPAC name is 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
PubChem CID168716351
Molecular FormulaC8H14N2O6S
Molecular Weight266.27 g/mol
Exact Mass266.06
IUPAC Name3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid
SMILESCC(O)C(C(=O)O)N1CC(S(N)(=O)=O)CC1=O
InChIInChI=1S/C8H14N2O6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)(H2,9,15,16)
InChIKeyNRAUFKZRWBWJDI-UHFFFAOYSA-N
XLogP-2.29
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 5-2.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2S,3S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168713040
(2S,3S)-3-methyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)pentanoic acid
CID 168716361
(2R,3S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-hydroxybutanoic acid
CID 168698683
(2S)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168713114
2-cyclohexyl-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716627
3-hydroxy-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]butanoic acid
CID 168669110
2-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716602
(2S)-3-(4-methylphenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)propanoic acid
CID 168716607
2-(4-fluorophenyl)-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)acetic acid
CID 168716614
(2S)-2-(4-amino-2-oxopyrrolidin-1-yl)-3-methylbutanoic acid
CID 168698750

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The IUPAC name of 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid (CID 168716351) is 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid is CC(O)C(C(=O)O)N1CC(S(N)(=O)=O)CC1=O.
What is the InChIKey of 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
The InChIKey is NRAUFKZRWBWJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6S/c1-4(11)7(8(13)14)10-3-5(2-6(10)12)17(9,15)16/h4-5,7,11H,2-3H2,1H3,(H,13,14)(H2,9,15,16).
What are the key properties of 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid?
3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid has a molecular weight of 266.27 g/mol, XLogP of -2.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-oxo-4-sulfamoylpyrrolidin-1-yl)butanoic acid is sourced from PubChem (CID 168716351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).