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

C9H15NO2S — CID 107773917

IUPAC(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C2CC2)N[C@@H](C(=O)O)CS1
InChIInChI=1S/C9H15NO2S/c1-2-9(6-3-4-6)10-7(5-13-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-,9?/m1/s1
InChIKeyYUWLJKAUKULDGI-YOXFSPIKSA-N
MW201.29 g/mol
LogP1.29
Rot. Bonds3

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

(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773917) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773917
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC Name(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C2CC2)N[C@@H](C(=O)O)CS1
InChIInChI=1S/C9H15NO2S/c1-2-9(6-3-4-6)10-7(5-13-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-,9?/m1/s1
InChIKeyYUWLJKAUKULDGI-YOXFSPIKSA-N
XLogP1.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 130825758
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
2-cyclopentyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500639
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
(2S,4S)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 10236061
2-benzyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 80500514
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
(4R)-2-ethoxycarbonyl-2-(sulfanylmethyl)-1,3-thiazolidine-4-carboxylic acid
CID 24749364
2-(methylsulfanylmethyl)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 76618549
(4S)-spiro[1,3-thiazolidine-2,3'-1-azabicyclo[2.2.2]octane]-4-carboxylic acid
CID 107773845
(3S)-7,9-dimethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773971

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 107773917) is (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1(C2CC2)N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YUWLJKAUKULDGI-YOXFSPIKSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-2-9(6-3-4-6)10-7(5-13-9)8(11)12/h6-7,10H,2-5H2,1H3,(H,11,12)/t7-,9?/m1/s1.
What are the key properties of (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 201.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).