1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

C14H19NO4S — CID 106977155

IUPAC1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1sccc1OC
InChIInChI=1S/C14H19NO4S/c1-3-6-14(13(17)18)7-4-8-15(14)12(16)11-10(19-2)5-9-20-11/h5,9H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyOSFPMSDJIGRRQP-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.62
Rot. Bonds5

About 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid

1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106977155) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106977155
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(=O)c1sccc1OC
InChIInChI=1S/C14H19NO4S/c1-3-6-14(13(17)18)7-4-8-15(14)12(16)11-10(19-2)5-9-20-11/h5,9H,3-4,6-8H2,1-2H3,(H,17,18)
InChIKeyOSFPMSDJIGRRQP-UHFFFAOYSA-N
XLogP2.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid (CID 106977155) is 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(=O)c1sccc1OC.
What is the InChIKey of 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is OSFPMSDJIGRRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-6-14(13(17)18)7-4-8-15(14)12(16)11-10(19-2)5-9-20-11/h5,9H,3-4,6-8H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid?
1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxythiophene-2-carbonyl)-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).