(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid

C7H13NO2S — CID 90896026

IUPAC(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN1CSC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-2-3-8-5-11-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyOGDODKXJGAJYRC-LURJTMIESA-N
MW175.25 g/mol
LogP0.86
Rot. Bonds3

About (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid

(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 90896026) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID90896026
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCCN1CSC[C@H]1C(=O)O
InChIInChI=1S/C7H13NO2S/c1-2-3-8-5-11-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyOGDODKXJGAJYRC-LURJTMIESA-N
XLogP0.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid (CID 90896026) is (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid is CCCN1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is OGDODKXJGAJYRC-LURJTMIESA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-3-8-5-11-4-6(8)7(9)10/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 90896026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).