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

C13H22N2O3S — CID 79384309

IUPAC3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCNC1C
InChIInChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)9-4-5-14-8(9)3/h7-10,12,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyFQMDPQPWUFUXBZ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.00
Rot. Bonds3

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

3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 79384309) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID79384309
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1CCNC1C
InChIInChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)9-4-5-14-8(9)3/h7-10,12,14H,4-6H2,1-3H3,(H,17,18)
InChIKeyFQMDPQPWUFUXBZ-UHFFFAOYSA-N
XLogP1.00
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminocyclopentanecarbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64823094
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-(oxolane-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781031
(2R,3R)-2-methylpyrrolidine-3-carboxylic acid
CID 10887930
3-(dicyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780949
3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63790622
(2-methylpyrrolidin-3-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 102953558
3-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63774708
3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465
3-(cyclopropylmethylcarbamoyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792580
3-[3,3-dimethylbutan-2-yl(methyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63780792
1-(2-methylpyrrolidine-3-carbonyl)azepane-2-carboxylic acid
CID 79385119

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 79384309) is 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)C1CCNC1C.
What is the InChIKey of 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FQMDPQPWUFUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-7(2)12-15(10(6-19-12)13(17)18)11(16)9-4-5-14-8(9)3/h7-10,12,14H,4-6H2,1-3H3,(H,17,18).
What are the key properties of 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 286.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 79384309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).