2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride

C6H12ClNO2S — CID 13451618

IUPAC2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)C1NCCS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-4(6(8)9)5-7-2-3-10-5;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyAPTSCYADSDEWNN-UHFFFAOYSA-N
MW197.69 g/mol
LogP0.79
Rot. Bonds2

About 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride

2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride (PubChem CID 13451618) has the molecular formula C6H12ClNO2S and a molecular weight of 197.69 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride
PubChem CID13451618
Molecular FormulaC6H12ClNO2S
Molecular Weight197.69 g/mol
Exact Mass197.03
IUPAC Name2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride
SMILESCC(C(=O)O)C1NCCS1.Cl
InChIInChI=1S/C6H11NO2S.ClH/c1-4(6(8)9)5-7-2-3-10-5;/h4-5,7H,2-3H2,1H3,(H,8,9);1H
InChIKeyAPTSCYADSDEWNN-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.69
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride (CID 13451618) is 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride is CC(C(=O)O)C1NCCS1.Cl.
What is the InChIKey of 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride?
The InChIKey is APTSCYADSDEWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S.ClH/c1-4(6(8)9)5-7-2-3-10-5;/h4-5,7H,2-3H2,1H3,(H,8,9);1H.
What are the key properties of 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride?
2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride has a molecular weight of 197.69 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 13451618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).