(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

C8H10N2O4S2 — CID 61144554

IUPAC(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)N2CSC[C@H]2C(=O)O)CS1
InChIInChI=1S/C8H10N2O4S2/c11-6(4-1-16-8(14)9-4)10-3-15-2-5(10)7(12)13/h4-5H,1-3H2,(H,9,14)(H,12,13)/t4?,5-/m0/s1
InChIKeyYQOHJOBARNRRHJ-AKGZTFGVSA-N
MW262.31 g/mol
LogP-0.20
Rot. Bonds2

About (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid

(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 61144554) has the molecular formula C8H10N2O4S2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID61144554
Molecular FormulaC8H10N2O4S2
Molecular Weight262.31 g/mol
Exact Mass262.01
IUPAC Name(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
SMILESO=C1NC(C(=O)N2CSC[C@H]2C(=O)O)CS1
InChIInChI=1S/C8H10N2O4S2/c11-6(4-1-16-8(14)9-4)10-3-15-2-5(10)7(12)13/h4-5H,1-3H2,(H,9,14)(H,12,13)/t4?,5-/m0/s1
InChIKeyYQOHJOBARNRRHJ-AKGZTFGVSA-N
XLogP-0.20
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3-[(2S,5S)-5-hydroxypyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 174580522
(2S)-1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 28789670
2-amino-2-(hydroxymethyl)propane-1,3-diol;(4R)-3-[(2S)-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 44625960
1-[(4R)-2-oxo-1,3-thiazolidine-4-carbonyl]piperidine-4-carboxylic acid
CID 28789368
(4R)-3-(4-hydroxypyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61161522
(4R)-3-[(2S)-2,3,3,4,4-pentadeuterio-5-oxopyrrolidine-2-carbonyl]-1,3-thiazolidine-4-carboxylic acid
CID 131709071
3-methyl-1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-2-carboxylic acid
CID 107069118
(4R)-3-(1-acetylpiperidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 61144327
4-[2-(hydroxymethyl)azepane-1-carbonyl]-1,3-thiazolidin-2-one
CID 116636142
1-(2-oxo-1,3-thiazolidine-4-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918403
3-(5-oxopyrrolidine-2-carbonyl)-1,3-thiazolidine-4-carboxamide
CID 10263810
(4R)-4-[2-(aminomethyl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 119634263

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid (CID 61144554) is (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is O=C1NC(C(=O)N2CSC[C@H]2C(=O)O)CS1.
What is the InChIKey of (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is YQOHJOBARNRRHJ-AKGZTFGVSA-N. The full InChI is InChI=1S/C8H10N2O4S2/c11-6(4-1-16-8(14)9-4)10-3-15-2-5(10)7(12)13/h4-5H,1-3H2,(H,9,14)(H,12,13)/t4?,5-/m0/s1.
What are the key properties of (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid?
(4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(2-oxo-1,3-thiazolidine-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 61144554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).