3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C13H22N2O3S — CID 55234939

IUPAC3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N2O3S/c1-3-4-10-15(9(7-19-10)11(16)17)12(18)13(2)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDHSOJWMKAYWXKD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.14
Rot. Bonds4

About 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid

3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55234939) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID55234939
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCC1SCC(C(=O)O)N1C(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N2O3S/c1-3-4-10-15(9(7-19-10)11(16)17)12(18)13(2)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17)
InChIKeyDHSOJWMKAYWXKD-UHFFFAOYSA-N
XLogP1.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 55234939) is 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCCC1SCC(C(=O)O)N1C(=O)C1(C)CCNC1.
What is the InChIKey of 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is DHSOJWMKAYWXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-4-10-15(9(7-19-10)11(16)17)12(18)13(2)5-6-14-8-13/h9-10,14H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpyrrolidine-3-carbonyl)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55234939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).