2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid

C7H13NO2S — CID 134562695

IUPAC2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid
SMILESCC1(C)CNC(CC(=O)O)S1
InChIInChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYNNNXXRTJHNONB-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.90
Rot. Bonds2

About 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid

2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid (PubChem CID 134562695) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid
PubChem CID134562695
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid
SMILESCC1(C)CNC(CC(=O)O)S1
InChIInChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10)
InChIKeyYNNNXXRTJHNONB-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid?
The IUPAC name of 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid (CID 134562695) is 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid?
The canonical SMILES for 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid is CC1(C)CNC(CC(=O)O)S1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid?
The InChIKey is YNNNXXRTJHNONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-7(2)4-8-5(11-7)3-6(9)10/h5,8H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid?
2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic 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 2-(5,5-dimethyl-1,3-thiazolidin-2-yl)acetic acid is sourced from PubChem (CID 134562695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).