1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

C11H15N3O5S — CID 63032539

IUPAC1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)O)C2)cc1C(N)=O
InChIInChI=1S/C11H15N3O5S/c1-13-6-8(4-9(13)10(12)15)20(18,19)14-3-2-7(5-14)11(16)17/h4,6-7H,2-3,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyWQANXMPALIZLAC-UHFFFAOYSA-N
MW301.32 g/mol
LogP-0.78
Rot. Bonds4

About 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid

1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (PubChem CID 63032539) has the molecular formula C11H15N3O5S and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
PubChem CID63032539
Molecular FormulaC11H15N3O5S
Molecular Weight301.32 g/mol
Exact Mass301.07
IUPAC Name1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid
SMILESCn1cc(S(=O)(=O)N2CCC(C(=O)O)C2)cc1C(N)=O
InChIInChI=1S/C11H15N3O5S/c1-13-6-8(4-9(13)10(12)15)20(18,19)14-3-2-7(5-14)11(16)17/h4,6-7H,2-3,5H2,1H3,(H2,12,15)(H,16,17)
InChIKeyWQANXMPALIZLAC-UHFFFAOYSA-N
XLogP-0.78
TPSA122.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(aminomethyl)-4-methylpiperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide
CID 114960857
4-(3-aminopyrrolidin-1-yl)sulfonyl-1-methylpyrrole-2-carboxylic acid
CID 55029596
1-methyl-4-[4-(morpholine-4-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24563909
1-methyl-4-[(3S)-3-methylpiperazin-1-yl]sulfonylpyrrole-2-carboxamide
CID 104976475
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(cyclopropylmethyl)piperidine-4-carboxamide
CID 24667159
4-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119974812
4-[3-(1-aminoethyl)piperidin-1-yl]sulfonyl-1-methylpyrrole-2-carboxamide;hydrochloride
CID 119984390
1-methyl-4-[4-(2-phenylpyrrolidine-1-carbonyl)piperidin-1-yl]sulfonylpyrrole-2-carboxamide
CID 24658235
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(2-methylcyclohexyl)piperidine-4-carboxamide
CID 24563915
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
1-[1-methyl-5-(methylcarbamoyl)pyrrol-3-yl]sulfonylpiperidine-3-carboxamide
CID 56808378
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 24563945

Frequently Asked Questions

What is the IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid (CID 63032539) is 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is Cn1cc(S(=O)(=O)N2CCC(C(=O)O)C2)cc1C(N)=O.
What is the InChIKey of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
The InChIKey is WQANXMPALIZLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5S/c1-13-6-8(4-9(13)10(12)15)20(18,19)14-3-2-7(5-14)11(16)17/h4,6-7H,2-3,5H2,1H3,(H2,12,15)(H,16,17).
What are the key properties of 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid?
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid has a molecular weight of 301.32 g/mol, XLogP of -0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63032539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).