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

C10H17NO4S — CID 63790945

IUPAC2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CCOC
InChIInChI=1S/C10H17NO4S/c1-3-9-11(8(12)4-5-15-2)7(6-16-9)10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHBBPSQWRAXQUKQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP0.79
Rot. Bonds5

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

2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 63790945) has the molecular formula C10H17NO4S and a molecular weight of 247.32 g/mol. Its IUPAC name is 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID63790945
Molecular FormulaC10H17NO4S
Molecular Weight247.32 g/mol
Exact Mass247.09
IUPAC Name2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1SCC(C(=O)O)N1C(=O)CCOC
InChIInChI=1S/C10H17NO4S/c1-3-9-11(8(12)4-5-15-2)7(6-16-9)10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14)
InChIKeyHBBPSQWRAXQUKQ-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 63790945) is 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is CCC1SCC(C(=O)O)N1C(=O)CCOC.
What is the InChIKey of 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HBBPSQWRAXQUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4S/c1-3-9-11(8(12)4-5-15-2)7(6-16-9)10(13)14/h7,9H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid?
2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 247.32 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-(3-methoxypropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 63790945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).