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

C14H20N2O3S — CID 83071361

IUPAC2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-3-14(12(17)18)7-5-8-16(14)13(19)15-10(2)11-6-4-9-20-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWVUDCKUKOQEFRA-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.85
Rot. Bonds4

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

2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 83071361) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID83071361
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC(C)c1cccs1
InChIInChI=1S/C14H20N2O3S/c1-3-14(12(17)18)7-5-8-16(14)13(19)15-10(2)11-6-4-9-20-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyWVUDCKUKOQEFRA-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83070624
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071359
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115285515
2-ethyl-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83076112
1-[(2-chlorophenyl)methylcarbamoyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 83060928
2-ethyl-1-[(2-methoxyphenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83058197
2-ethyl-1-[ethyl(phenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83060774
2-ethyl-1-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 106382880
2-ethyl-1-(1,2-oxazol-3-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83070554
4-methyl-N-(1-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 115583183
2-ethyl-1-[(2-methyl-3-methylsulfanylpropyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 83070246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 83071361) is 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NC(C)c1cccs1.
What is the InChIKey of 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WVUDCKUKOQEFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-14(12(17)18)7-5-8-16(14)13(19)15-10(2)11-6-4-9-20-11/h4,6,9-10H,3,5,7-8H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).