(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O3S — CID 61190888

IUPAC(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)N2CSC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3S/c1-8-3-9(2)5-13(4-8)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
InChIKeyRJAYDGJZZDDBMX-RTBKNWGFSA-N
MW272.37 g/mol
LogP1.54
Rot. Bonds1

About (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61190888) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61190888
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1CC(C)CN(C(=O)N2CSC[C@H]2C(=O)O)C1
InChIInChI=1S/C12H20N2O3S/c1-8-3-9(2)5-13(4-8)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
InChIKeyRJAYDGJZZDDBMX-RTBKNWGFSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(4R)-3-(2,4-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 55061861
(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
4-(2,6-dimethylthiomorpholine-4-carbonyl)thiomorpholine-3-carboxylic acid
CID 82905305
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 62775391
3-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 113399341
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
(4R)-3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 79943995
3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 54989919

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61190888) is (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1CC(C)CN(C(=O)N2CSC[C@H]2C(=O)O)C1.
What is the InChIKey of (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RJAYDGJZZDDBMX-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-8-3-9(2)5-13(4-8)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-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 272.37 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61190888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).