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

C9H15NO4S — CID 63792310

IUPAC3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO4S/c1-6-10(8(11)3-4-14-2)7(5-15-6)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyLUYRAXKOWJGRHV-UHFFFAOYSA-N
MW233.29 g/mol
LogP0.40
Rot. Bonds4

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

3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63792310) has the molecular formula C9H15NO4S and a molecular weight of 233.29 g/mol. Its IUPAC name is 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID63792310
Molecular FormulaC9H15NO4S
Molecular Weight233.29 g/mol
Exact Mass233.07
IUPAC Name3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCOCCC(=O)N1C(C)SCC1C(=O)O
InChIInChI=1S/C9H15NO4S/c1-6-10(8(11)3-4-14-2)7(5-15-6)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyLUYRAXKOWJGRHV-UHFFFAOYSA-N
XLogP0.40
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 63792310) is 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is COCCC(=O)N1C(C)SCC1C(=O)O.
What is the InChIKey of 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is LUYRAXKOWJGRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4S/c1-6-10(8(11)3-4-14-2)7(5-15-6)9(12)13/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid?
3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropanoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63792310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).