2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid

C13H17N3O4S — CID 63113917

IUPAC2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-15(2)11(17)9-4-3-6-16(9)13(20)14-10-8(12(18)19)5-7-21-10/h5,7,9H,3-4,6H2,1-2H3,(H,14,20)(H,18,19)
InChIKeySOUUUKFAUBJGSS-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.53
Rot. Bonds3

About 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid

2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid (PubChem CID 63113917) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
PubChem CID63113917
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCN(C)C(=O)C1CCCN1C(=O)Nc1sccc1C(=O)O
InChIInChI=1S/C13H17N3O4S/c1-15(2)11(17)9-4-3-6-16(9)13(20)14-10-8(12(18)19)5-7-21-10/h5,7,9H,3-4,6H2,1-2H3,(H,14,20)(H,18,19)
InChIKeySOUUUKFAUBJGSS-UHFFFAOYSA-N
XLogP1.53
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015936
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)thiophene-3-carboxylic acid
CID 115560759
2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 114594297
2-[[methyl-(3-methylcyclohexyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114134
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
2-[(2-carbamoyl-4-hydroxypyrrolidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 63114300
2-[[cyclopentyl(2-hydroxyethyl)carbamoyl]amino]thiophene-3-carboxylic acid
CID 63114301
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 66073512
N,N-dimethyl-1-(thiophene-3-carbonyl)pyrrolidine-2-carboxamide
CID 134026773
2-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid
CID 112626687
2-[(3-hydroxy-3-methylazetidine-1-carbonyl)amino]thiophene-3-carboxylic acid
CID 107223804

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid (CID 63113917) is 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid is CN(C)C(=O)C1CCCN1C(=O)Nc1sccc1C(=O)O.
What is the InChIKey of 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid?
The InChIKey is SOUUUKFAUBJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-15(2)11(17)9-4-3-6-16(9)13(20)14-10-8(12(18)19)5-7-21-10/h5,7,9H,3-4,6H2,1-2H3,(H,14,20)(H,18,19).
What are the key properties of 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid?
2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid has a molecular weight of 311.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylcarbamoyl)pyrrolidine-1-carbonyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63113917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).