4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid

C11H15N3O6S — CID 106168338

IUPAC4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C11H15N3O6S/c12-10(16)9(15)4-13-21(19,20)7-3-8(11(17)18)14(5-7)6-1-2-6/h3,5-6,9,13,15H,1-2,4H2,(H2,12,16)(H,17,18)
InChIKeyDKMJJVFNSLDCAK-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.35
Rot. Bonds7

About 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid

4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid (PubChem CID 106168338) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
PubChem CID106168338
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid
SMILESNC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1
InChIInChI=1S/C11H15N3O6S/c12-10(16)9(15)4-13-21(19,20)7-3-8(11(17)18)14(5-7)6-1-2-6/h3,5-6,9,13,15H,1-2,4H2,(H2,12,16)(H,17,18)
InChIKeyDKMJJVFNSLDCAK-UHFFFAOYSA-N
XLogP-1.35
TPSA151.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopropyl-4-[2-(dimethylamino)propylsulfamoyl]pyrrole-2-carboxylic acid
CID 61044270
1-cyclopropyl-4-(3-hydroxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644604
1-cyclopropyl-4-(2-methoxypropylsulfamoyl)pyrrole-2-carboxylic acid
CID 102695723
1-cyclopropyl-4-[[2-(ethylamino)-2-oxoethyl]sulfamoyl]pyrrole-2-carboxylic acid
CID 43644658
1-cyclopropyl-4-(1,3-thiazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 63830799
1-cyclopropyl-4-(pyrimidin-2-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644408
1-cyclopropyl-4-(1-cyclopropylethylsulfamoyl)pyrrole-2-carboxylic acid
CID 43644618
1-cyclopropyl-4-(oxolan-3-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60920665
1-cyclopropyl-4-(piperidin-4-ylsulfamoyl)pyrrole-2-carboxylic acid
CID 61403195
1-cyclopropyl-4-[(2-methylpropan-2-yl)oxysulfamoyl]pyrrole-2-carboxylic acid
CID 82720159
1-cyclopropyl-4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrrole-2-carboxylic acid
CID 43644623
1-cyclopropyl-4-(1H-pyrazol-4-ylmethylsulfamoyl)pyrrole-2-carboxylic acid
CID 60999303

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid (CID 106168338) is 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid is NC(=O)C(O)CNS(=O)(=O)c1cc(C(=O)O)n(C2CC2)c1.
What is the InChIKey of 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid?
The InChIKey is DKMJJVFNSLDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c12-10(16)9(15)4-13-21(19,20)7-3-8(11(17)18)14(5-7)6-1-2-6/h3,5-6,9,13,15H,1-2,4H2,(H2,12,16)(H,17,18).
What are the key properties of 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid?
4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -1.35, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-hydroxy-3-oxopropyl)sulfamoyl]-1-cyclopropylpyrrole-2-carboxylic acid is sourced from PubChem (CID 106168338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).