5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

C9H18ClNO2S — CID 3014730

IUPAC5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC(C)C1NC(C(=O)O)C(C)(C)S1.Cl
InChIInChI=1S/C9H17NO2S.ClH/c1-5(2)7-10-6(8(11)12)9(3,4)13-7;/h5-7,10H,1-4H3,(H,11,12);1H
InChIKeyCJCQTPCVKRWSLM-UHFFFAOYSA-N
MW239.77 g/mol
LogP1.96
Rot. Bonds2

About 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride

5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (PubChem CID 3014730) has the molecular formula C9H18ClNO2S and a molecular weight of 239.77 g/mol. Its IUPAC name is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
PubChem CID3014730
Molecular FormulaC9H18ClNO2S
Molecular Weight239.77 g/mol
Exact Mass239.07
IUPAC Name5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride
SMILESCC(C)C1NC(C(=O)O)C(C)(C)S1.Cl
InChIInChI=1S/C9H17NO2S.ClH/c1-5(2)7-10-6(8(11)12)9(3,4)13-7;/h5-7,10H,1-4H3,(H,11,12);1H
InChIKeyCJCQTPCVKRWSLM-UHFFFAOYSA-N
XLogP1.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.77
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride (CID 3014730) is 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is CC(C)C1NC(C(=O)O)C(C)(C)S1.Cl.
What is the InChIKey of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
The InChIKey is CJCQTPCVKRWSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2S.ClH/c1-5(2)7-10-6(8(11)12)9(3,4)13-7;/h5-7,10H,1-4H3,(H,11,12);1H.
What are the key properties of 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride?
5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride has a molecular weight of 239.77 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-propan-2-yl-1,3-thiazolidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 3014730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).