3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid

C10H19NO2S — CID 70915112

IUPAC3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCN1C(CC)SCC1C(=O)O
InChIInChI=1S/C10H19NO2S/c1-3-5-6-11-8(10(12)13)7-14-9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBKQGKHUBPYNYLC-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.02
Rot. Bonds5

About 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid

3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 70915112) has the molecular formula C10H19NO2S and a molecular weight of 217.33 g/mol. Its IUPAC name is 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID70915112
Molecular FormulaC10H19NO2S
Molecular Weight217.33 g/mol
Exact Mass217.11
IUPAC Name3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCCN1C(CC)SCC1C(=O)O
InChIInChI=1S/C10H19NO2S/c1-3-5-6-11-8(10(12)13)7-14-9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyBKQGKHUBPYNYLC-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 70915112) is 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCCCN1C(CC)SCC1C(=O)O.
What is the InChIKey of 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is BKQGKHUBPYNYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2S/c1-3-5-6-11-8(10(12)13)7-14-9(11)4-2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 217.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 70915112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).