1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

C14H19NO4S — CID 81127835

IUPAC1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cc(OC)cs2)C1
InChIInChI=1S/C14H19NO4S/c1-3-4-14(13(17)18)5-6-15(9-14)12(16)11-7-10(19-2)8-20-11/h7-8H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLWIKWRAAZCPEFM-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.47
Rot. Bonds5

About 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid

1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 81127835) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID81127835
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)c2cc(OC)cs2)C1
InChIInChI=1S/C14H19NO4S/c1-3-4-14(13(17)18)5-6-15(9-14)12(16)11-7-10(19-2)8-20-11/h7-8H,3-6,9H2,1-2H3,(H,17,18)
InChIKeyLWIKWRAAZCPEFM-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-methoxythiophene-2-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 124596105
1-(5-bromothiophene-3-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145761
1-(4-ethyl-5-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145995
1-(5-bromo-4-methylthiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 79981392
(4-methoxythiophen-2-yl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304268
(4-methoxythiophen-2-yl)-piperidin-1-ylmethanone
CID 79459949
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
1-(4-chloro-1H-pyrrole-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144942
1-(2,5-dimethylbenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145288
1-(5-bromo-2-chlorobenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145819
1-(4-bromo-2-hydroxybenzoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63146051
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid (CID 81127835) is 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)c2cc(OC)cs2)C1.
What is the InChIKey of 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is LWIKWRAAZCPEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-3-4-14(13(17)18)5-6-15(9-14)12(16)11-7-10(19-2)8-20-11/h7-8H,3-6,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophene-2-carbonyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 81127835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).