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

C10H15NO4S — CID 62758263

IUPAC3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1CCCOC1
InChIInChI=1S/C10H15NO4S/c12-9(7-2-1-3-15-4-7)11-6-16-5-8(11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyBDHPVBDBYOWRLH-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.40
Rot. Bonds2

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

3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 62758263) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID62758263
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)C1CCCOC1
InChIInChI=1S/C10H15NO4S/c12-9(7-2-1-3-15-4-7)11-6-16-5-8(11)10(13)14/h7-8H,1-6H2,(H,13,14)
InChIKeyBDHPVBDBYOWRLH-UHFFFAOYSA-N
XLogP0.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(oxane-3-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-(1-carbamoylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359555
(4R)-3-(1-acetylpiperidine-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143597
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
(3R)-oxane-3-carboxylic acid
CID 42554318
(4R)-3-(1,1-dioxothiolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61143598
cyclohexyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42744639
3-(1-ethylsulfonylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359164
(4R)-3-(azepane-1-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61188708
cyclopropyl-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]methanone
CID 42745619
(3S)-1-(oxane-3-carbonyl)piperidine-3-carboxylic acid
CID 81125597
(4R)-3-[cyclobutyl(methyl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 104873601
(4R)-3-(1,1-dioxothiane-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 104517522

Frequently Asked Questions

What is the IUPAC name of 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 62758263) is 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)C1CCCOC1.
What is the InChIKey of 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BDHPVBDBYOWRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c12-9(7-2-1-3-15-4-7)11-6-16-5-8(11)10(13)14/h7-8H,1-6H2,(H,13,14).
What are the key properties of 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 245.30 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 62758263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).