(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid

C7H13NO2S — CID 40549038

IUPAC(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC[C@@H]1N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyQIJPWSGHURHDHJ-NTSWFWBYSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds3

About (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid

(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 40549038) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID40549038
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC[C@@H]1N[C@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1
InChIKeyQIJPWSGHURHDHJ-NTSWFWBYSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid (CID 40549038) is (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid is CCC[C@@H]1N[C@H](C(=O)O)CS1.
What is the InChIKey of (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is QIJPWSGHURHDHJ-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m0/s1.
What are the key properties of (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid?
(2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-propyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 40549038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).