2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

C13H19N3O3S — CID 83070624

IUPAC2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC(C)c1nccs1
InChIInChI=1S/C13H19N3O3S/c1-3-13(11(17)18)5-4-7-16(13)12(19)15-9(2)10-14-6-8-20-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHRCVGPDUMUDUIZ-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.24
Rot. Bonds4

About 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid

2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 83070624) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID83070624
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1C(=O)NC(C)c1nccs1
InChIInChI=1S/C13H19N3O3S/c1-3-13(11(17)18)5-4-7-16(13)12(19)15-9(2)10-14-6-8-20-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18)
InChIKeyHRCVGPDUMUDUIZ-UHFFFAOYSA-N
XLogP2.24
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(1-thiophen-2-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071361
3-(methoxymethyl)-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 155955390
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
2-ethyl-1-(thiophen-2-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 83071359
3-methyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782763
(3S)-3-(ethoxymethyl)-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 95905079
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
2-ethyl-1-[(3-methyl-4-pyridinyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 114701453
2-hydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 83070624) is 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1C(=O)NC(C)c1nccs1.
What is the InChIKey of 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HRCVGPDUMUDUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-3-13(11(17)18)5-4-7-16(13)12(19)15-9(2)10-14-6-8-20-10/h6,8-9H,3-5,7H2,1-2H3,(H,15,19)(H,17,18).
What are the key properties of 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid?
2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 297.38 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83070624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).