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

C7H11NO4S — CID 57312911

IUPAC2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1NC(C(=O)O)CS1
InChIInChI=1S/C7H11NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyCUHKNSQDMNYEFA-UHFFFAOYSA-N
MW205.23 g/mol
LogP-0.33
Rot. Bonds3

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

2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 57312911) has the molecular formula C7H11NO4S and a molecular weight of 205.23 g/mol. Its IUPAC name is 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID57312911
Molecular FormulaC7H11NO4S
Molecular Weight205.23 g/mol
Exact Mass205.04
IUPAC Name2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCOC(=O)C1NC(C(=O)O)CS1
InChIInChI=1S/C7H11NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10)
InChIKeyCUHKNSQDMNYEFA-UHFFFAOYSA-N
XLogP-0.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxycarbonyl-1,3-thiazolidine-4-carboxylic acid
CID 70149669
(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 54758943
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
(2R,4R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 95048702
(2S,5S)-5-ethoxycarbonylpyrrolidine-2-carboxylic acid
CID 54457263
dimethyl (2S,4S)-1,3-thiazolidine-2,4-dicarboxylate
CID 28775163
2-(3-sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 154362128
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027
ethyl thiirane-2-carboxylate
CID 12518686
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 2-pentyl-1,3-thiazolidine-4-carboxylate
CID 71371906

Frequently Asked Questions

What is the IUPAC name of 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid (CID 57312911) is 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is CCOC(=O)C1NC(C(=O)O)CS1.
What is the InChIKey of 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is CUHKNSQDMNYEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4S/c1-2-12-7(11)5-8-4(3-13-5)6(9)10/h4-5,8H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid?
2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 205.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxycarbonyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 57312911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).