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

C13H22N2O3S — CID 63790622

IUPAC3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N2O3S/c1-8(2)10-15(9(6-19-10)11(16)17)12(18)13(3)4-5-14-7-13/h8-10,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyQPFIMSCJZDBRGD-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.00
Rot. Bonds3

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

3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790622) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790622
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCC(C)C1SCC(C(=O)O)N1C(=O)C1(C)CCNC1
InChIInChI=1S/C13H22N2O3S/c1-8(2)10-15(9(6-19-10)11(16)17)12(18)13(3)4-5-14-7-13/h8-10,14H,4-7H2,1-3H3,(H,16,17)
InChIKeyQPFIMSCJZDBRGD-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-(3-ethylpiperidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63792371
3-(2-ethylpyrrolidine-2-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 83071465
2-cyclopropyl-3-(4-methylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63790632
3-methoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63781303
3-[2-(1-aminocyclopentyl)acetyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 64677874
3-(4-amino-3-methyloxolane-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 66264325
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 103357144
1-(3-methylpyrrolidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63141329
2-propan-2-yl-3-[propan-2-yl(propyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63781596
3-[(2,2-dimethylcyclopentyl)carbamoyl]-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79870207
3-(2-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 79384309
3-(2-methyl-3-oxopiperazine-1-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
CID 63774708

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 63790622) is 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CC(C)C1SCC(C(=O)O)N1C(=O)C1(C)CCNC1.
What is the InChIKey of 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QPFIMSCJZDBRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-8(2)10-15(9(6-19-10)11(16)17)12(18)13(3)4-5-14-7-13/h8-10,14H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
3-(3-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-(3-methylpyrrolidine-3-carbonyl)-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).