3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid

C6H9NO3S — CID 71498111

IUPAC3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1C(=O)SCC1C(=O)O
InChIInChI=1S/C6H9NO3S/c1-2-7-4(5(8)9)3-11-6(7)10/h4H,2-3H2,1H3,(H,8,9)
InChIKeyFUBXUZGJYVZUNY-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.63
Rot. Bonds2

About 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid

3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid (PubChem CID 71498111) has the molecular formula C6H9NO3S and a molecular weight of 175.21 g/mol. Its IUPAC name is 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
PubChem CID71498111
Molecular FormulaC6H9NO3S
Molecular Weight175.21 g/mol
Exact Mass175.03
IUPAC Name3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid
SMILESCCN1C(=O)SCC1C(=O)O
InChIInChI=1S/C6H9NO3S/c1-2-7-4(5(8)9)3-11-6(7)10/h4H,2-3H2,1H3,(H,8,9)
InChIKeyFUBXUZGJYVZUNY-UHFFFAOYSA-N
XLogP0.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467
1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 19002576
1-ethyl-4-methyl-6-oxopiperidine-2-carboxylic acid
CID 130815234
3-benzyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylic acid
CID 15366955
1-tert-butyl-3-ethyl-2-oxoimidazolidine-4-carboxylic acid
CID 68720122
3-methyl-2-oxo-1,3-thiazolidine-4-carboxamide
CID 141184233
(2R,3R)-1,2-diethyl-5-oxopyrrolidine-3-carboxylic acid
CID 124510189
(2S,5R)-1,2-diethylpyrrolidine-2,5-dicarboxylic acid
CID 97052315
4-bromo-3-phenacyl-1,3-thiazolidin-2-one
CID 67846103
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2R,3S)-1-ethyl-5-oxo-2-propan-2-ylpyrrolidine-3-carboxylic acid
CID 82397843
(3R)-2-ethyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 7446755

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid (CID 71498111) is 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid is CCN1C(=O)SCC1C(=O)O.
What is the InChIKey of 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FUBXUZGJYVZUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3S/c1-2-7-4(5(8)9)3-11-6(7)10/h4H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid?
3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 175.21 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-oxo-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 71498111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).