4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

C10H13N3O6S — CID 60952079

IUPAC4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H13N3O6S/c11-9(15)8-1-5(14)4-13(8)20(18,19)6-2-7(10(16)17)12-3-6/h2-3,5,8,12,14H,1,4H2,(H2,11,15)(H,16,17)
InChIKeyJQCMDWGRDOUVTJ-UHFFFAOYSA-N
MW303.30 g/mol
LogP-1.68
Rot. Bonds4

About 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid

4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (PubChem CID 60952079) has the molecular formula C10H13N3O6S and a molecular weight of 303.30 g/mol. Its IUPAC name is 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
PubChem CID60952079
Molecular FormulaC10H13N3O6S
Molecular Weight303.30 g/mol
Exact Mass303.05
IUPAC Name4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
SMILESNC(=O)C1CC(O)CN1S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C10H13N3O6S/c11-9(15)8-1-5(14)4-13(8)20(18,19)6-2-7(10(16)17)12-3-6/h2-3,5,8,12,14H,1,4H2,(H2,11,15)(H,16,17)
InChIKeyJQCMDWGRDOUVTJ-UHFFFAOYSA-N
XLogP-1.68
TPSA153.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-hydroxypiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 28740525
(2S,4R)-1-(4-tert-butylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 126825870
1-(3-amino-4-fluoro-5-methylphenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 115421373
4-(azetidin-1-ylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 43440229
4-(2-methoxycarbonylpiperidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 60952265
4-hydroxy-1-sulfamoylpyrrolidine-2-carboxamide
CID 112689179
4-(4-acetylpiperazin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid
CID 29034568
(2S)-4-hydroxy-1-(1H-pyrrol-3-ylsulfonyl)pyrrolidine-2-carboxylic acid
CID 61144532
1-(5-amino-4-bromo-2-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 116530113
(2S,4S)-1-(3,5-difluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712843
4-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]-1H-pyrrole-2-carboxylic acid
CID 102882974
1-(2-amino-4,6-dichlorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxamide
CID 61140373

Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid (CID 60952079) is 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is NC(=O)C1CC(O)CN1S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is JQCMDWGRDOUVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O6S/c11-9(15)8-1-5(14)4-13(8)20(18,19)6-2-7(10(16)17)12-3-6/h2-3,5,8,12,14H,1,4H2,(H2,11,15)(H,16,17).
What are the key properties of 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid?
4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 303.30 g/mol, XLogP of -1.68, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-4-hydroxypyrrolidin-1-yl)sulfonyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 60952079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).