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

C7H13NO2S — CID 107773892

IUPAC(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C)N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7?/m1/s1
InChIKeyHKDAFCRJEPXVCP-FOUAAFFMSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds2

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

(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107773892) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107773892
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C)N[C@@H](C(=O)O)CS1
InChIInChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7?/m1/s1
InChIKeyHKDAFCRJEPXVCP-FOUAAFFMSA-N
XLogP0.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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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Related Compounds

2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 130825758
(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107773917
2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500611
(2S,4S)-2-methyl-1,3-thiazolidine-2,4-dicarboxylic acid
CID 10236061
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
(3R)-8-ethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 7388199
2-cyclopentyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500639
2-benzyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 80500514
(3R)-6-ethyl-1-thia-4,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 104931208
(3S)-9,9-dimethyl-1-thia-4-azaspiro[4.4]nonane-3-carboxylic acid
CID 107773916

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid (CID 107773892) is (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is CCC1(C)N[C@@H](C(=O)O)CS1.
What is the InChIKey of (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HKDAFCRJEPXVCP-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-3-7(2)8-5(4-11-7)6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-,7?/m1/s1.
What are the key properties of (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 175.25 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107773892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).