3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

C10H16N2O4S — CID 61202400

IUPAC3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NC1CCOCC1
InChIInChI=1S/C10H16N2O4S/c13-9(14)8-5-17-6-12(8)10(15)11-7-1-3-16-4-2-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyVAUCNDMIBVXPDP-UHFFFAOYSA-N
MW260.31 g/mol
LogP0.33
Rot. Bonds2

About 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid

3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61202400) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61202400
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)C1CSCN1C(=O)NC1CCOCC1
InChIInChI=1S/C10H16N2O4S/c13-9(14)8-5-17-6-12(8)10(15)11-7-1-3-16-4-2-7/h7-8H,1-6H2,(H,11,15)(H,13,14)
InChIKeyVAUCNDMIBVXPDP-UHFFFAOYSA-N
XLogP0.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid (CID 61202400) is 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is O=C(O)C1CSCN1C(=O)NC1CCOCC1.
What is the InChIKey of 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is VAUCNDMIBVXPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c13-9(14)8-5-17-6-12(8)10(15)11-7-1-3-16-4-2-7/h7-8H,1-6H2,(H,11,15)(H,13,14).
What are the key properties of 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 260.31 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61202400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).