(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

C11H18N2O3S — CID 53215627

IUPAC(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CN1CCCCC1
InChIInChI=1S/C11H18N2O3S/c14-10(6-12-4-2-1-3-5-12)13-8-17-7-9(13)11(15)16/h9H,1-8H2,(H,15,16)/t9-/m0/s1
InChIKeySVOSKAGXKNBQIH-VIFPVBQESA-N
MW258.34 g/mol
LogP0.46
Rot. Bonds3

About (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 53215627) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID53215627
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@@H]1CSCN1C(=O)CN1CCCCC1
InChIInChI=1S/C11H18N2O3S/c14-10(6-12-4-2-1-3-5-12)13-8-17-7-9(13)11(15)16/h9H,1-8H2,(H,15,16)/t9-/m0/s1
InChIKeySVOSKAGXKNBQIH-VIFPVBQESA-N
XLogP0.46
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-3-(2-piperidin-1-ylacetyl)-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

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid (CID 53215627) is (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@@H]1CSCN1C(=O)CN1CCCCC1.
What is the InChIKey of (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is SVOSKAGXKNBQIH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N2O3S/c14-10(6-12-4-2-1-3-5-12)13-8-17-7-9(13)11(15)16/h9H,1-8H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 258.34 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-piperidin-1-ylacetyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 53215627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).