3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C12H20N2O4S — CID 54989919

IUPAC3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC1CCCN(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O4S/c1-2-18-9-4-3-5-13(6-9)12(17)14-8-19-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyLMIIRPKBQRYOLX-UHFFFAOYSA-N
MW288.37 g/mol
LogP1.07
Rot. Bonds3

About 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 54989919) has the molecular formula C12H20N2O4S and a molecular weight of 288.37 g/mol. Its IUPAC name is 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID54989919
Molecular FormulaC12H20N2O4S
Molecular Weight288.37 g/mol
Exact Mass288.11
IUPAC Name3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC1CCCN(C(=O)N2CSCC2C(=O)O)C1
InChIInChI=1S/C12H20N2O4S/c1-2-18-9-4-3-5-13(6-9)12(17)14-8-19-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16)
InChIKeyLMIIRPKBQRYOLX-UHFFFAOYSA-N
XLogP1.07
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-ethoxycarbonylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61187460
2-[4-(3-ethoxypiperidine-1-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66445546
(4R)-3-[3-(methylcarbamoyl)piperidine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 103197228
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
(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-(3,4-dimethylpiperazine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63605096
(4R)-3-(4,4-dimethylazepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 65282799
(4R)-3-(3,5-dimethylpiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61190888
(4R)-3-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 61443039
3-[4-(2-methylpropyl)piperazine-1-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 62775391
cyclobutyl-(3-ethoxypiperidin-1-yl)methanone
CID 46153649
3-(3-ethoxypiperidin-1-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821760

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 54989919) is 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CCOC1CCCN(C(=O)N2CSCC2C(=O)O)C1.
What is the InChIKey of 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LMIIRPKBQRYOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4S/c1-2-18-9-4-3-5-13(6-9)12(17)14-8-19-7-10(14)11(15)16/h9-10H,2-8H2,1H3,(H,15,16).
What are the key properties of 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 288.37 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypiperidine-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 54989919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).