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

C10H14N2O2S — CID 83071091

IUPAC2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-10(8(13)14)4-3-6-12(10)9-11-5-7-15-9/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyPDDBQHYKNFKWNV-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.98
Rot. Bonds3

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

2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83071091) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID83071091
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCC1(C(=O)O)CCCN1c1nccs1
InChIInChI=1S/C10H14N2O2S/c1-2-10(8(13)14)4-3-6-12(10)9-11-5-7-15-9/h5,7H,2-4,6H2,1H3,(H,13,14)
InChIKeyPDDBQHYKNFKWNV-UHFFFAOYSA-N
XLogP1.98
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83075986
2-ethyl-1-[1-(1,3-thiazol-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83070624
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640
1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 83076066
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 137015939
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
1-(5-bromo-3-nitro-2-pyridinyl)-2-ethylpyrrolidine-2-carboxylic acid
CID 83075739
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
(4aS,8aS)-1-methyl-7-(1,3-thiazol-2-yl)-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 135094565
4-ethyl-1-(1,3-thiazol-2-ylmethylcarbamoyl)piperidine-4-carboxylic acid
CID 63126930

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (CID 83071091) is 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is CCC1(C(=O)O)CCCN1c1nccs1.
What is the InChIKey of 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is PDDBQHYKNFKWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-10(8(13)14)4-3-6-12(10)9-11-5-7-15-9/h5,7H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 226.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83071091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).