5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

C14H19NO3S — CID 104511152

IUPAC5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CC(C(C)C)CC1=O
InChIInChI=1S/C14H19NO3S/c1-8(2)10-5-13(16)15(6-10)7-11-4-12(14(17)18)19-9(11)3/h4,8,10H,5-7H2,1-3H3,(H,17,18)
InChIKeySDGQXXCRXIDCAK-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.76
Rot. Bonds4

About 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid

5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (PubChem CID 104511152) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
PubChem CID104511152
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid
SMILESCc1sc(C(=O)O)cc1CN1CC(C(C)C)CC1=O
InChIInChI=1S/C14H19NO3S/c1-8(2)10-5-13(16)15(6-10)7-11-4-12(14(17)18)19-9(11)3/h4,8,10H,5-7H2,1-3H3,(H,17,18)
InChIKeySDGQXXCRXIDCAK-UHFFFAOYSA-N
XLogP2.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]thiophene-2-carboxylic acid
CID 103498227
4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 104511155
4-[(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80730394
2-[(4S)-2-oxo-4-propan-2-ylpyrrolidin-1-yl]acetic acid
CID 97000523
5-methyl-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]thiophene-2-carboxylic acid
CID 80727591
(E)-3-[2-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]phenyl]prop-2-enoic acid
CID 104512561
4-[(3,5-dioxopiperazin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728234
5-methyl-4-[(3-oxo-1H-isoindol-2-yl)methyl]thiophene-2-carboxylic acid
CID 80730805
1-[[4-(hydroxymethyl)phenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512318
1-[2-(3,4-dimethylphenyl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512179
1-[(4-amino-2-fluorophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104510877
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512610

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid (CID 104511152) is 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is Cc1sc(C(=O)O)cc1CN1CC(C(C)C)CC1=O.
What is the InChIKey of 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
The InChIKey is SDGQXXCRXIDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-8(2)10-5-13(16)15(6-10)7-11-4-12(14(17)18)19-9(11)3/h4,8,10H,5-7H2,1-3H3,(H,17,18).
What are the key properties of 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid?
5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid has a molecular weight of 281.38 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(2-oxo-4-propan-2-ylpyrrolidin-1-yl)methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 104511152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).