(2R)-1,3-thiazolidin-3-ium-2-carboxylate

C4H7NO2S — CID 6998903

IUPAC(2R)-1,3-thiazolidin-3-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1[NH2+]CCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyULSZVNJBVJWEJE-GSVOUGTGSA-N
MW133.17 g/mol
LogP-2.63
Rot. Bonds1

About (2R)-1,3-thiazolidin-3-ium-2-carboxylate

(2R)-1,3-thiazolidin-3-ium-2-carboxylate (PubChem CID 6998903) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is (2R)-1,3-thiazolidin-3-ium-2-carboxylate.

Molecular Properties

Compound Name(2R)-1,3-thiazolidin-3-ium-2-carboxylate
PubChem CID6998903
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name(2R)-1,3-thiazolidin-3-ium-2-carboxylate
SMILESO=C([O-])[C@@H]1[NH2+]CCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyULSZVNJBVJWEJE-GSVOUGTGSA-N
XLogP-2.63
TPSA56.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-2.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,3-thiazolidin-3-ium-2-carboxylate?
The IUPAC name of (2R)-1,3-thiazolidin-3-ium-2-carboxylate (CID 6998903) is (2R)-1,3-thiazolidin-3-ium-2-carboxylate.
What is the SMILES notation for (2R)-1,3-thiazolidin-3-ium-2-carboxylate?
The canonical SMILES for (2R)-1,3-thiazolidin-3-ium-2-carboxylate is O=C([O-])[C@@H]1[NH2+]CCS1.
What is the InChIKey of (2R)-1,3-thiazolidin-3-ium-2-carboxylate?
The InChIKey is ULSZVNJBVJWEJE-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-4(7)3-5-1-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (2R)-1,3-thiazolidin-3-ium-2-carboxylate?
(2R)-1,3-thiazolidin-3-ium-2-carboxylate has a molecular weight of 133.17 g/mol, XLogP of -2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,3-thiazolidin-3-ium-2-carboxylate is sourced from PubChem (CID 6998903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).