2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C10H15NO4S — CID 63791448

IUPAC2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1CCOC1
InChIInChI=1S/C10H15NO4S/c1-6-11(8(5-16-6)10(13)14)9(12)7-2-3-15-4-7/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyOEZSXFQGMIRQGC-UHFFFAOYSA-N
MW245.30 g/mol
LogP0.40
Rot. Bonds2

About 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid

2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63791448) has the molecular formula C10H15NO4S and a molecular weight of 245.30 g/mol. Its IUPAC name is 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63791448
Molecular FormulaC10H15NO4S
Molecular Weight245.30 g/mol
Exact Mass245.07
IUPAC Name2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC1SCC(C(=O)O)N1C(=O)C1CCOC1
InChIInChI=1S/C10H15NO4S/c1-6-11(8(5-16-6)10(13)14)9(12)7-2-3-15-4-7/h6-8H,2-5H2,1H3,(H,13,14)
InChIKeyOEZSXFQGMIRQGC-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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 63791448) is 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is CC1SCC(C(=O)O)N1C(=O)C1CCOC1.
What is the InChIKey of 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OEZSXFQGMIRQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4S/c1-6-11(8(5-16-6)10(13)14)9(12)7-2-3-15-4-7/h6-8H,2-5H2,1H3,(H,13,14).
What are the key properties of 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
2-methyl-3-(oxolane-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 2-methyl-3-(oxolane-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63791448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).