5-oxo-1-sulfopyrrolidine-2-carboxylic acid

C5H7NO6S — CID 174466730

IUPAC5-oxo-1-sulfopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1S(=O)(=O)O
InChIInChI=1S/C5H7NO6S/c7-4-2-1-3(5(8)9)6(4)13(10,11)12/h3H,1-2H2,(H,8,9)(H,10,11,12)
InChIKeyGWRVHXPKZDVHDQ-UHFFFAOYSA-N
MW209.18 g/mol
LogP-1.14
Rot. Bonds2

About 5-oxo-1-sulfopyrrolidine-2-carboxylic acid

5-oxo-1-sulfopyrrolidine-2-carboxylic acid (PubChem CID 174466730) has the molecular formula C5H7NO6S and a molecular weight of 209.18 g/mol. Its IUPAC name is 5-oxo-1-sulfopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-sulfopyrrolidine-2-carboxylic acid
PubChem CID174466730
Molecular FormulaC5H7NO6S
Molecular Weight209.18 g/mol
Exact Mass209.00
IUPAC Name5-oxo-1-sulfopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1S(=O)(=O)O
InChIInChI=1S/C5H7NO6S/c7-4-2-1-3(5(8)9)6(4)13(10,11)12/h3H,1-2H2,(H,8,9)(H,10,11,12)
InChIKeyGWRVHXPKZDVHDQ-UHFFFAOYSA-N
XLogP-1.14
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 5-1.14
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

1-(dimethylsulfamoyl)-5-oxopyrrolidine-2-carboxylic acid
CID 82116702
(3S,8S)-5-oxo-1,2,3,6,7,8-hexahydropyrrolizine-3-carboxylic acid
CID 45082702
(2S)-1-cyclobutyl-5-oxopyrrolidine-2-carboxylic acid
CID 67462914
(2S)-1-cyclopentyl-5-oxopyrrolidine-2-carboxylic acid
CID 67459886
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 3016456
2-methoxycarbonyl-4-oxoazetidine-1-sulfonic acid
CID 21245024
5-oxo-1-(2-propylsulfonylethyl)pyrrolidine-2-carboxylic acid
CID 106726403
N-cyclopropyl-1-methylsulfonyl-5-oxopyrrolidine-2-carboxamide
CID 110387755
1-methylsulfonyl-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 110387754

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-sulfopyrrolidine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-sulfopyrrolidine-2-carboxylic acid (CID 174466730) is 5-oxo-1-sulfopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-sulfopyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-sulfopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1S(=O)(=O)O.
What is the InChIKey of 5-oxo-1-sulfopyrrolidine-2-carboxylic acid?
The InChIKey is GWRVHXPKZDVHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO6S/c7-4-2-1-3(5(8)9)6(4)13(10,11)12/h3H,1-2H2,(H,8,9)(H,10,11,12).
What are the key properties of 5-oxo-1-sulfopyrrolidine-2-carboxylic acid?
5-oxo-1-sulfopyrrolidine-2-carboxylic acid has a molecular weight of 209.18 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-sulfopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174466730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).