2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

C10H17NO4S — CID 175812263

IUPAC2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1(C(C)C)NC(C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-4-15-9(14)10(6(2)3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyYIBCIHDEMSVXMK-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.69
Rot. Bonds4

About 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid

2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 175812263) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
PubChem CID175812263
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1(C(C)C)NC(C(=O)O)CS1
InChIInChI=1S/C10H17NO4S/c1-4-15-9(14)10(6(2)3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyYIBCIHDEMSVXMK-UHFFFAOYSA-N
XLogP0.69
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-ethoxycarbonyl-2-propan-2-yl-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 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid (CID 175812263) is 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)C1(C(C)C)NC(C(=O)O)CS1.
What is the InChIKey of 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YIBCIHDEMSVXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-4-15-9(14)10(6(2)3)11-7(5-16-10)8(12)13/h6-7,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid?
2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 175812263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).