3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H17NO3S — CID 63146685

IUPAC3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C13H17NO3S/c1-3-13(12(16)17)5-6-14(8-13)11(15)10-9(2)4-7-18-10/h4,7H,3,5-6,8H2,1-2H3,(H,16,17)
InChIKeyPHNVNZWHZUQIHK-UHFFFAOYSA-N
MW267.35 g/mol
LogP2.38
Rot. Bonds3

About 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid

3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63146685) has the molecular formula C13H17NO3S and a molecular weight of 267.35 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63146685
Molecular FormulaC13H17NO3S
Molecular Weight267.35 g/mol
Exact Mass267.09
IUPAC Name3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)c2sccc2C)C1
InChIInChI=1S/C13H17NO3S/c1-3-13(12(16)17)5-6-14(8-13)11(15)10-9(2)4-7-18-10/h4,7H,3,5-6,8H2,1-2H3,(H,16,17)
InChIKeyPHNVNZWHZUQIHK-UHFFFAOYSA-N
XLogP2.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylthiophene-2-carbonyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982644
3-ethyl-1-(4-hydroxy-3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 107674875
3-ethyl-1-(3-methylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146415
3-ethyl-1-(4-propan-2-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63146683
3-ethyl-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 55164529
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
7-(3-methylthiophene-2-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996200
3-ethyl-1-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 104772680
1-(2-chlorofuran-3-carbonyl)-3-ethylpyrrolidine-3-carboxylic acid
CID 106683456
1-[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 66389558
1-[3-(dimethylamino)benzoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 63144613
(2,2-dimethyl-1-oxo-1,4-thiazinan-4-yl)-(3-methylthiophen-2-yl)methanone
CID 71856535

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 63146685) is 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)c2sccc2C)C1.
What is the InChIKey of 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PHNVNZWHZUQIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3S/c1-3-13(12(16)17)5-6-14(8-13)11(15)10-9(2)4-7-18-10/h4,7H,3,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid?
3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 267.35 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylthiophene-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).