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

C11H19NO2S — CID 130825758

IUPAC(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C2CC2(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H19NO2S/c1-4-11(8-5-10(8,2)3)12-7(6-15-11)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8?,11?/m0/s1
InChIKeyWIXOFFMKBKMSRH-JYPKXMCJSA-N
MW229.34 g/mol
LogP1.93
Rot. Bonds3

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

(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 130825758) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID130825758
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCCC1(C2CC2(C)C)N[C@H](C(=O)O)CS1
InChIInChI=1S/C11H19NO2S/c1-4-11(8-5-10(8,2)3)12-7(6-15-11)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8?,11?/m0/s1
InChIKeyWIXOFFMKBKMSRH-JYPKXMCJSA-N
XLogP1.93
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-2-cyclopropyl-2-ethyl-1,3-thiazolidine-4-carboxylic acid
CID 107773917
(4S)-2-ethyl-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 107773892
(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
2-ethyl-2-methyl-1,3-thiazinane-4-carboxylic acid
CID 80500428
2-methyl-2-(2-phenylethyl)-1,3-thiazolidine-4-carboxylic acid
CID 80500608
(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
(3S)-7,9-dimethyl-1-thia-4-azaspiro[4.5]decane-3-carboxylic acid
CID 107773971
2-(2-methoxy-2-methylpropyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 80500611
(4R)-2-butyl-2-tert-butyl-1,3-thiazolidine-4-carboxylic acid
CID 67704629
(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 (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid (CID 130825758) is (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is CCC1(C2CC2(C)C)N[C@H](C(=O)O)CS1.
What is the InChIKey of (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is WIXOFFMKBKMSRH-JYPKXMCJSA-N. The full InChI is InChI=1S/C11H19NO2S/c1-4-11(8-5-10(8,2)3)12-7(6-15-11)9(13)14/h7-8,12H,4-6H2,1-3H3,(H,13,14)/t7-,8?,11?/m0/s1.
What are the key properties of (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid?
(4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 229.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(2,2-dimethylcyclopropyl)-2-ethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 130825758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).