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

C6H11NO2S — CID 2729265

IUPAC(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C)NCS[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyUPFRTOCROBCFNN-BYPYZUCNSA-N
MW161.23 g/mol
LogP0.51
Rot. Bonds1

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

(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid (PubChem CID 2729265) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid
PubChem CID2729265
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid
SMILESCC1(C)NCS[C@H]1C(=O)O
InChIInChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyUPFRTOCROBCFNN-BYPYZUCNSA-N
XLogP0.51
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-Dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 3391922
potassium;(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylate;pentahydrate
CID 23668841
Potassium;4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid;pentahydrate
CID 45108758
2-(2-Methyl-1,3-thiazolidin-2-yl)acetic acid
CID 13877363
2-(2-Sulfanylidene-1,3-thiazolidin-4-yl)propanoic acid
CID 53936551
2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid
CID 89380525
2-(5,5-Dimethyl-1,3-thiazolidin-2-yl)acetic acid
CID 134562695
2-[2-(Carboxymethyl)-2-methyl-1,3-thiazolidin-4-yl]acetic acid
CID 151524068
2-(1,3-Thiazolidin-4-yl)acetic acid
CID 153884898
2-[(4R)-5,5-dimethyl-1,3-thiazolidin-4-yl]acetic acid
CID 156234117
2-(1,3-Thiazolidin-4-yl)acetic acid;hydrochloride
CID 174639754
4,4-Dimethyl-1,3-thiazolidine-5-carboxylate
CID 3391921

Frequently Asked Questions

What is the IUPAC name of (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid (CID 2729265) is (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid is CC1(C)NCS[C@H]1C(=O)O.
What is the InChIKey of (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is UPFRTOCROBCFNN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-6(2)4(5(8)9)10-3-7-6/h4,7H,3H2,1-2H3,(H,8,9)/t4-/m0/s1.
What are the key properties of (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid?
(5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 161.23 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4,4-dimethyl-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 2729265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).