3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 83072475

IUPAC3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2C(C)SCC2C(=O)O)CCCN1
InChIInChI=1S/C12H20N2O3S/c1-3-12(5-4-6-13-12)11(17)14-8(2)18-7-9(14)10(15)16/h8-9,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyHLLSHOFGQCMAHX-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.89
Rot. Bonds3

About 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid

3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 83072475) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID83072475
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C(=O)N2C(C)SCC2C(=O)O)CCCN1
InChIInChI=1S/C12H20N2O3S/c1-3-12(5-4-6-13-12)11(17)14-8(2)18-7-9(14)10(15)16/h8-9,13H,3-7H2,1-2H3,(H,15,16)
InChIKeyHLLSHOFGQCMAHX-UHFFFAOYSA-N
XLogP0.89
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071546
3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465
3-(2-ethylpyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 83071822
1-(2-ethylpyrrolidine-2-carbonyl)piperidine-2-carboxylic acid
CID 83071672
1-(2-ethylpyrrolidine-2-carbonyl)azepane-2-carboxylic acid
CID 83072399
3-(1-aminocyclohexanecarbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63791466
1-(2-ethylpyrrolidine-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 83073136
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 83073309
(2-ethylpyrrolidin-2-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217712
3-(2-cyclobutylacetyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 103161930
3-butanoyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63793196
3-(3-ethylpentan-3-ylcarbamoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 65042791

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 83072475) is 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCC1(C(=O)N2C(C)SCC2C(=O)O)CCCN1.
What is the InChIKey of 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HLLSHOFGQCMAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-12(5-4-6-13-12)11(17)14-8(2)18-7-9(14)10(15)16/h8-9,13H,3-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-2-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 83072475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).