1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C16H23NO3S — CID 63145995

IUPAC1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cc(CC)c(C)s2)C1
InChIInChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-8-17(10-16)14(18)13-9-12(5-2)11(3)21-13/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyMJRAGMZKBFMKGS-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.34
Rot. Bonds5

About 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 63145995) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID63145995
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cc(CC)c(C)s2)C1
InChIInChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-8-17(10-16)14(18)13-9-12(5-2)11(3)21-13/h9H,4-8,10H2,1-3H3,(H,19,20)
InChIKeyMJRAGMZKBFMKGS-UHFFFAOYSA-N
XLogP3.34
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-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-(5-bromo-4-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 79981392
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 120806775
1-(2,5-dimethylthiophene-3-carbonyl)-3-propylpiperidine-3-carboxylic acid
CID 63138048
1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 81127835
1-(5-bromothiophene-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145761
1-(2,5-dimethylbenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145288
azepan-1-yl-(4-ethyl-5-methylthiophen-2-yl)methanone
CID 60634850
1-(4-chloro-1H-pyrrole-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144942
1-(5-methyl-4-propylthiophene-2-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433624
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
(4-ethyl-5-methylthiophen-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 78785729
6-(5-methyl-4-propylthiophene-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175440

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 63145995) is 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2cc(CC)c(C)s2)C1.
What is the InChIKey of 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is MJRAGMZKBFMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-6-16(15(19)20)7-8-17(10-16)14(18)13-9-12(5-2)11(3)21-13/h9H,4-8,10H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).