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

C7H13NO3S — CID 14466466

IUPAC(4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CO)N[C@H]1C(=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)/t4?,5-/m0/s1
InChIKeyIUDYPSDWEFGLQG-AKGZTFGVSA-N
MW191.25 g/mol
LogP-0.13
Rot. Bonds2

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

(4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (PubChem CID 14466466) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
PubChem CID14466466
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name(4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
SMILESCC1(C)SC(CO)N[C@H]1C(=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)/t4?,5-/m0/s1
InChIKeyIUDYPSDWEFGLQG-AKGZTFGVSA-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 (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (CID 14466466) is (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is CC1(C)SC(CO)N[C@H]1C(=O)O.
What is the InChIKey of (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is IUDYPSDWEFGLQG-AKGZTFGVSA-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)/t4?,5-/m0/s1.
What are the key properties of (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid?
(4S)-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 (4S)-2-(hydroxymethyl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 14466466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).