2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

C7H13NO3S — CID 14466463

IUPAC2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CO)NC1C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(2)5(6(10)11)8-4(3-9)12-7/h4-5,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyIUDYPSDWEFGLQG-UHFFFAOYSA-N
MW191.25 g/mol
LogP-0.13
Rot. Bonds2

About 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 14466463) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID14466463
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CO)NC1C(=O)O
InChIInChI=1S/C7H13NO3S/c1-7(2)5(6(10)11)8-4(3-9)12-7/h4-5,8-9H,3H2,1-2H3,(H,10,11)
InChIKeyIUDYPSDWEFGLQG-UHFFFAOYSA-N
XLogP-0.13
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 14466463) is 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(CO)NC1C(=O)O.
What is the InChIKey of 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IUDYPSDWEFGLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c1-7(2)5(6(10)11)8-4(3-9)12-7/h4-5,8-9H,3H2,1-2H3,(H,10,11).
What are the key properties of 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 191.25 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 14466463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).