2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

C12H18N2O2S — CID 83075986

IUPAC2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1csc(N2CCCC2(CC)C(=O)O)n1
InChIInChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-7-5-6-12(14,4-2)10(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyKKMMFFLGRYSACY-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.54
Rot. Bonds4

About 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid

2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 83075986) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID83075986
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCCc1csc(N2CCCC2(CC)C(=O)O)n1
InChIInChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-7-5-6-12(14,4-2)10(15)16/h8H,3-7H2,1-2H3,(H,15,16)
InChIKeyKKMMFFLGRYSACY-UHFFFAOYSA-N
XLogP2.54
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methyl-1,3-thiazol-2-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 106977692
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
2-ethyl-1-(6-ethylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 83070640
2-ethyl-1-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83071216
2-ethyl-1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 137015939
2-ethyl-1-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83071303
2-ethyl-1-(6-methoxypyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 83070789
1-(4-ethyl-1,3-thiazol-2-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 62961208
2-ethyl-1-(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)pyrrolidine-2-carboxylic acid
CID 83059950
(2R)-2-ethylpyrrolidine-1,2-dicarboxylic acid
CID 91369752
2-ethyl-1-(5-nitro-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 83076066
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-propylpyrrolidine-2-carboxylic acid
CID 136792246

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid (CID 83075986) is 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is CCc1csc(N2CCCC2(CC)C(=O)O)n1.
What is the InChIKey of 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is KKMMFFLGRYSACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-9-8-17-11(13-9)14-7-5-6-12(14,4-2)10(15)16/h8H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid?
2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 254.35 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83075986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).