4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

C12H15NO4S — CID 24700309

IUPAC4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(C)s2)C1
InChIInChI=1S/C12H15NO4S/c1-7-3-4-10(18-7)11(14)13-6-8(17-2)5-9(13)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyTUQDGFFHLGGQNA-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.37
Rot. Bonds3

About 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid

4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 24700309) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID24700309
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(C(=O)c2ccc(C)s2)C1
InChIInChI=1S/C12H15NO4S/c1-7-3-4-10(18-7)11(14)13-6-8(17-2)5-9(13)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyTUQDGFFHLGGQNA-UHFFFAOYSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-1-(2-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 24694266
1-(1-benzothiophene-2-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43172308
4-methoxy-1-[(5-methylthiophen-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62057072
1-(5-methylthiophene-2-carbonyl)azetidine-2-carboxylic acid
CID 130645542
1-(2,5-dibromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 113354325
1-(2,6-difluorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24697164
4-methoxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199852
1-(2-hydroxy-4-methylbenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 24690196
1-(3,5-dibromobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 107971197
1-(3,5-dichlorobenzoyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43099378
1-(5-bromothiophene-3-carbonyl)-4-methoxypyrrolidine-2-carboxylic acid
CID 43359709
4-methoxy-1-[3-(methoxymethyl)thiophene-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 120534347

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 24700309) is 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(C(=O)c2ccc(C)s2)C1.
What is the InChIKey of 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is TUQDGFFHLGGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-7-3-4-10(18-7)11(14)13-6-8(17-2)5-9(13)12(15)16/h3-4,8-9H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid?
4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 24700309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).