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

C11H19NO2S — CID 107774073

IUPAC(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(C2CCCCCC2)N1
InChIInChI=1S/C11H19NO2S/c13-11(14)9-7-15-10(12-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m1/s1
InChIKeyRVAFLMRFUNBNNA-YHMJZVADSA-N
MW229.34 g/mol
LogP2.07
Rot. Bonds2

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

(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 107774073) has the molecular formula C11H19NO2S and a molecular weight of 229.34 g/mol. Its IUPAC name is (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID107774073
Molecular FormulaC11H19NO2S
Molecular Weight229.34 g/mol
Exact Mass229.11
IUPAC Name(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid
SMILESO=C(O)[C@H]1CSC(C2CCCCCC2)N1
InChIInChI=1S/C11H19NO2S/c13-11(14)9-7-15-10(12-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m1/s1
InChIKeyRVAFLMRFUNBNNA-YHMJZVADSA-N
XLogP2.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 2732227
(2R,4S)-2-cyclohexyl-1,3-thiazolidine-4-carboxylic acid
CID 710168
(4R)-2-(oxan-4-yl)-1,3-thiazolidine-4-carboxylic acid
CID 62386285
(4S)-2-cyclohex-3-en-1-yl-1,3-thiazolidine-4-carboxylic acid
CID 107773752
(4R)-1,3-thiazolidine-2,4-dicarboxylic acid
CID 2825749
1,3-thiazolidine-2,4-dicarboxylic acid;hydrate
CID 22302524
2-sulfanyl-1,3-thiazolidine-4-carboxylic acid
CID 14535489
2-cyclopentyl-4-methyl-1,3-thiazolidine
CID 66220135
5-cyclopentylpyrrolidine-2-carboxylic acid
CID 55295140
2-(4-tert-butylcyclohexyl)-1,3-thiazinane-4-carboxylic acid
CID 104575610
(6S)-piperidine-2,6-dicarboxylic acid
CID 126584428
2-ethyl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
CID 67763027

Frequently Asked Questions

What is the IUPAC name of (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid (CID 107774073) is (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid is O=C(O)[C@H]1CSC(C2CCCCCC2)N1.
What is the InChIKey of (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is RVAFLMRFUNBNNA-YHMJZVADSA-N. The full InChI is InChI=1S/C11H19NO2S/c13-11(14)9-7-15-10(12-9)8-5-3-1-2-4-6-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10?/m1/s1.
What are the key properties of (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 229.34 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-cycloheptyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 107774073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).