4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid

C13H17NO3S — CID 82160128

IUPAC4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
SMILESO=C(O)C(CC(=O)N1CCCC1)Cc1cccs1
InChIInChI=1S/C13H17NO3S/c15-12(14-5-1-2-6-14)9-10(13(16)17)8-11-4-3-7-18-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)
InChIKeyWPPUCBAHYGIPFB-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.00
Rot. Bonds5

About 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid

4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid (PubChem CID 82160128) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
PubChem CID82160128
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid
SMILESO=C(O)C(CC(=O)N1CCCC1)Cc1cccs1
InChIInChI=1S/C13H17NO3S/c15-12(14-5-1-2-6-14)9-10(13(16)17)8-11-4-3-7-18-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17)
InChIKeyWPPUCBAHYGIPFB-UHFFFAOYSA-N
XLogP2.00
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic 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

4-oxo-4-piperidin-1-yl-2-thiophen-2-ylbutanoic acid
CID 82134004
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
CID 47143342
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-(2-methyl-3-thiophen-2-ylpropyl)-3-(2-oxo-2-piperidin-1-ylethyl)urea
CID 71990557
1-(azepan-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 78808495
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
2-(furan-2-ylmethyl)-3-thiophen-2-ylpropanoic acid
CID 15571614
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
2-[(2-fluorophenyl)methyl]-3-thiophen-2-ylpropanoic acid
CID 60794221
1-[4-(2-thiophen-2-ylacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796443
4-(azepan-1-yl)-4-oxo-N-(thiophen-2-ylmethyl)butanamide
CID 3981931

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid?
The IUPAC name of 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid (CID 82160128) is 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid.
What is the SMILES notation for 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid?
The canonical SMILES for 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid is O=C(O)C(CC(=O)N1CCCC1)Cc1cccs1.
What is the InChIKey of 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid?
The InChIKey is WPPUCBAHYGIPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c15-12(14-5-1-2-6-14)9-10(13(16)17)8-11-4-3-7-18-11/h3-4,7,10H,1-2,5-6,8-9H2,(H,16,17).
What are the key properties of 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid?
4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid has a molecular weight of 267.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-pyrrolidin-1-yl-2-(thiophen-2-ylmethyl)butanoic acid is sourced from PubChem (CID 82160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).