3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid

C15H22N2O3S — CID 63145705

IUPAC3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-6-15(13(18)19)7-9-17(11-15)14(20)16-8-5-12-4-3-10-21-12/h3-4,10H,2,5-9,11H2,1H3,(H,16,20)(H,18,19)
InChIKeyPIBYLMDRZLROOQ-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.58
Rot. Bonds6

About 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid

3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 63145705) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID63145705
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C(=O)NCCc2cccs2)C1
InChIInChI=1S/C15H22N2O3S/c1-2-6-15(13(18)19)7-9-17(11-15)14(20)16-8-5-12-4-3-10-21-12/h3-4,10H,2,5-9,11H2,1H3,(H,16,20)(H,18,19)
InChIKeyPIBYLMDRZLROOQ-UHFFFAOYSA-N
XLogP2.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-hydroxy-3,3,4-trimethyl-N-(2-thiophen-2-ylethyl)piperidine-1-carboxamide
CID 133110763
1-[2-(5-chlorothiophen-2-yl)ethylcarbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 106039910
1-[2-(dimethylamino)ethylcarbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 55164801
1-[(3-amino-3-oxopropyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149101
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
(4S)-3,3-dimethyl-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124855638
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
3-methyl-2-oxo-N-(2-thiophen-2-ylethyl)-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119071596
(1S,3S)-3-ethoxy-1-hydroxy-N-(2-thiophen-2-ylethyl)-7-azaspiro[3.5]nonane-7-carboxamide
CID 99608200
1-(methylcarbamoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63145544
3-propyl-1-(1,3-thiazol-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63145587
1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63149281

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 63145705) is 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C(=O)NCCc2cccs2)C1.
What is the InChIKey of 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PIBYLMDRZLROOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-6-15(13(18)19)7-9-17(11-15)14(20)16-8-5-12-4-3-10-21-12/h3-4,10H,2,5-9,11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-(2-thiophen-2-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).