2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C13H18N2O3S — CID 83071359

IUPAC2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O3S/c1-2-13(11(16)17)6-4-7-15(13)12(18)14-9-10-5-3-8-19-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyAQUQVIQKPCYFHG-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.29
Rot. Bonds4

About 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83071359) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83071359
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NCc1cccs1
InChIInChI=1S/C13H18N2O3S/c1-2-13(11(16)17)6-4-7-15(13)12(18)14-9-10-5-3-8-19-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,14,18)(H,16,17)
InChIKeyAQUQVIQKPCYFHG-UHFFFAOYSA-N
XLogP2.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
2-ethyl-1-[2-(thiophen-2-ylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid
CID 83075795
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071361
2-ethyl-1-[(4-methylphenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83064829
1-[(3-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83064334
1-[(2-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060928
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
2-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106382880
2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114701453
1-[(3-methylthiophen-2-yl)methylcarbamoyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978501

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83071359) is 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NCc1cccs1.
What is the InChIKey of 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is AQUQVIQKPCYFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-2-13(11(16)17)6-4-7-15(13)12(18)14-9-10-5-3-8-19-10/h3,5,8H,2,4,6-7,9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).