1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

C16H23NO3S — CID 79372038

IUPAC1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCC(C(=O)O)C2C)cc1CC
InChIInChI=1S/C16H23NO3S/c1-4-6-13-11(5-2)9-14(21-13)15(18)17-8-7-12(10(17)3)16(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyLUHWUSYZKVXEHP-UHFFFAOYSA-N
MW309.43 g/mol
LogP3.20
Rot. Bonds5

About 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid

1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (PubChem CID 79372038) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
PubChem CID79372038
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC Name1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
SMILESCCCc1sc(C(=O)N2CCC(C(=O)O)C2C)cc1CC
InChIInChI=1S/C16H23NO3S/c1-4-6-13-11(5-2)9-14(21-13)15(18)17-8-7-12(10(17)3)16(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20)
InChIKeyLUHWUSYZKVXEHP-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid (CID 79372038) is 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is CCCc1sc(C(=O)N2CCC(C(=O)O)C2C)cc1CC.
What is the InChIKey of 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
The InChIKey is LUHWUSYZKVXEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-4-6-13-11(5-2)9-14(21-13)15(18)17-8-7-12(10(17)3)16(19)20/h9-10,12H,4-8H2,1-3H3,(H,19,20).
What are the key properties of 1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid?
1-(4-ethyl-5-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid has a molecular weight of 309.43 g/mol, XLogP of 3.20, 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-propylthiophene-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79372038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).