(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid

C11H13NO3S — CID 94917211

IUPAC(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10(6-9-2-1-5-16-9)12-4-3-8(7-12)11(14)15/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m0/s1
InChIKeyLBBDGISAKPDZNP-QMMMGPOBSA-N
MW239.30 g/mol
LogP1.22
Rot. Bonds3

About (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid

(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 94917211) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID94917211
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCN(C(=O)Cc2cccs2)C1
InChIInChI=1S/C11H13NO3S/c13-10(6-9-2-1-5-16-9)12-4-3-8(7-12)11(14)15/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m0/s1
InChIKeyLBBDGISAKPDZNP-QMMMGPOBSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-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

1-(2-thiophen-2-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918355
1-[(3R)-3-aminopyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119411974
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113004944
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031199
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
2-[1-(2-thiophen-2-ylacetyl)piperidin-3-yl]acetic acid
CID 62690570
1-[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-2-thiophen-2-ylethanone
CID 56866059
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone;hydrochloride
CID 119541022

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid (CID 94917211) is (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCN(C(=O)Cc2cccs2)C1.
What is the InChIKey of (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LBBDGISAKPDZNP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(6-9-2-1-5-16-9)12-4-3-8(7-12)11(14)15/h1-2,5,8H,3-4,6-7H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid?
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 94917211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).