3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

C12H17N3O5S — CID 63146260

IUPAC3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H17N3O5S/c1-12(11(17)18)3-4-15(7-12)10(16)9-5-8(6-14(9)2)21(13,19)20/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,13,19,20)
InChIKeyQBOKNCJSFOCGBN-UHFFFAOYSA-N
MW315.35 g/mol
LogP-0.39
Rot. Bonds3

About 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146260) has the molecular formula C12H17N3O5S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63146260
Molecular FormulaC12H17N3O5S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C12H17N3O5S/c1-12(11(17)18)3-4-15(7-12)10(16)9-5-8(6-14(9)2)21(13,19)20/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,13,19,20)
InChIKeyQBOKNCJSFOCGBN-UHFFFAOYSA-N
XLogP-0.39
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chloro-1-methylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146867
1-(4-acetyl-1-methylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146174
5-(azocane-1-carbonyl)-1-methylpyrrole-3-sulfonamide
CID 60708680
2-[1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)azetidin-3-yl]propanoic acid
CID 116681351
1-methyl-5-(3-propan-2-ylpyrrolidine-1-carbonyl)pyrrole-3-sulfonamide
CID 115687304
5-(4-ethyl-4-methylpiperidine-1-carbonyl)-1-methylpyrrole-3-sulfonyl chloride
CID 65366936
3-methyl-1-(1-methylindole-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 119256327
3-methyl-1-(5-methylsulfonylthiophene-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120688166
1-(4-chloro-1-cyclopropylpyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146630
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
1-[[(1-methyl-4-sulfamoylpyrrole-2-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445226
1-(1-ethyl-4-nitropyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146675

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 63146260) is 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is Cn1cc(S(N)(=O)=O)cc1C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QBOKNCJSFOCGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5S/c1-12(11(17)18)3-4-15(7-12)10(16)9-5-8(6-14(9)2)21(13,19)20/h5-6H,3-4,7H2,1-2H3,(H,17,18)(H2,13,19,20).
What are the key properties of 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 315.35 g/mol, XLogP of -0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methyl-4-sulfamoylpyrrole-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).