(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid

C8H13NO3S2 — CID 15572382

IUPAC(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@@H](CS)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3S2/c1-5(2-13)7(10)9-4-14-3-6(9)8(11)12/h5-6,13H,2-4H2,1H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyFWNWATHTRVGPDX-WDSKDSINSA-N
MW235.33 g/mol
LogP0.54
Rot. Bonds3

About (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid

(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid (PubChem CID 15572382) has the molecular formula C8H13NO3S2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
PubChem CID15572382
Molecular FormulaC8H13NO3S2
Molecular Weight235.33 g/mol
Exact Mass235.03
IUPAC Name(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
SMILESC[C@@H](CS)C(=O)N1CSC[C@H]1C(=O)O
InChIInChI=1S/C8H13NO3S2/c1-5(2-13)7(10)9-4-14-3-6(9)8(11)12/h5-6,13H,2-4H2,1H3,(H,11,12)/t5-,6-/m0/s1
InChIKeyFWNWATHTRVGPDX-WDSKDSINSA-N
XLogP0.54
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid with MolForge

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Related Compounds

4-Thiazolidinecarboxylic acid, 3-acetyl-
CID 98928
2-(4-Oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)propanoic acid
CID 217657
[(3-Mercapto-2-methyl-propionyl)-(3-methylsulfanyl-propyl)-amino]-acetic acid
CID 20285440
3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic acid
CID 44378814
(4R)-3-Acetyl-4-thiazolidinecarboxylic acid
CID 197107
(4R)-3-[(2S)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599153
4-Thiazolidinecarboxylic acid, 3-(2-mercapto-1-oxopropyl)-, (S-(R*,S*))-
CID 154993
YS 980
CID 171857
3-Methyl-2-(4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
CID 2787434
3-Butanoyl-1,3-thiazolidine-4-carboxylic acid
CID 17978710
3-(2,2-Dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 19823286
(4R)-3-acetyl-2-oxo-thiazolidine-4-carboxylic acid
CID 477567

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid (CID 15572382) is (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid is C[C@@H](CS)C(=O)N1CSC[C@H]1C(=O)O.
What is the InChIKey of (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is FWNWATHTRVGPDX-WDSKDSINSA-N. The full InChI is InChI=1S/C8H13NO3S2/c1-5(2-13)7(10)9-4-14-3-6(9)8(11)12/h5-6,13H,2-4H2,1H3,(H,11,12)/t5-,6-/m0/s1.
What are the key properties of (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 235.33 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R)-2-methyl-3-sulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 15572382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).