(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 55061861

IUPAC(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCN(C(=O)N2CSC[C@H]2C(=O)O)C(C)C1
InChIInChI=1S/C12H20N2O3S/c1-8-3-4-13(9(2)5-8)12(17)14-7-18-6-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1
InChIKeyJJOYFWLQLPWICB-RTBKNWGFSA-N
MW272.37 g/mol
LogP1.69
Rot. Bonds1

About (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 55061861) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID55061861
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CCN(C(=O)N2CSC[C@H]2C(=O)O)C(C)C1
InChIInChI=1S/C12H20N2O3S/c1-8-3-4-13(9(2)5-8)12(17)14-7-18-6-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1
InChIKeyJJOYFWLQLPWICB-RTBKNWGFSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61190888
1-(2,4-dimethylpiperidine-1-carbonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114430350
3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096
(4R)-3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 54981229
4-methyl-1-(2-methylazepane-1-carbonyl)piperidine-2-carboxylic acid
CID 114425614
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(4R)-3-(4-tert-butylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 62084194
(4R)-3-(4-cyclopropylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61442801
3-[2-(hydroxymethyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61407362
1-(4-hydroxypiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425171
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799
(2S)-1-(2,4-dimethylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 104876902

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 55061861) is (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CCN(C(=O)N2CSC[C@H]2C(=O)O)C(C)C1.
What is the InChIKey of (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is JJOYFWLQLPWICB-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-3-4-13(9(2)5-8)12(17)14-7-18-6-10(14)11(15)16/h8-10H,3-7H2,1-2H3,(H,15,16)/t8?,9?,10-/m0/s1.
What are the key properties of (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 55061861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).