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

C4H7NO2S — CID 58880436

IUPAC(5R)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)[C@H]1CNCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyQCJLSCRVJRTFKT-GSVOUGTGSA-N
MW133.17 g/mol
LogP-0.27
Rot. Bonds1

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

(5R)-1,3-thiazolidine-5-carboxylic acid (PubChem CID 58880436) has the molecular formula C4H7NO2S and a molecular weight of 133.17 g/mol. Its IUPAC name is (5R)-1,3-thiazolidine-5-carboxylic acid.

Molecular Properties

Compound Name(5R)-1,3-thiazolidine-5-carboxylic acid
PubChem CID58880436
Molecular FormulaC4H7NO2S
Molecular Weight133.17 g/mol
Exact Mass133.02
IUPAC Name(5R)-1,3-thiazolidine-5-carboxylic acid
SMILESO=C(O)[C@H]1CNCS1
InChIInChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1
InChIKeyQCJLSCRVJRTFKT-GSVOUGTGSA-N
XLogP-0.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-1,3-thiazolidine-5-carboxylic acid
CID 18961044
2-Thiazolidineacetic acid
CID 13451615
1,3-Thiazolidine-5-carboxylic acid
CID 14344103
Carboxymethyl-4-thiazolidinone
CID 20334485
2-(1,3-Thiazolidin-2-yl)acetic acid;hydrochloride
CID 13451616
2-(1,3-Thiazolidin-2-yl)propanoic acid;hydrochloride
CID 13451618
2-(2-Methyl-1,3-thiazolidin-2-yl)acetic acid
CID 13877363
2,2-Dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 20369847
1,3-Thiazolidine-2,5-dicarboxylic acid
CID 69912427
2-(4-Sulfanylidene-1,3-thiazolidin-2-yl)acetic acid
CID 88406258
2-[(2R)-5,5-dimethyl-1,3-thiazolidin-2-yl]acetic acid
CID 89380525
3-(Methylamino)-2-methylsulfanylpropanoic acid
CID 89403474

Frequently Asked Questions

What is the IUPAC name of (5R)-1,3-thiazolidine-5-carboxylic acid?
The IUPAC name of (5R)-1,3-thiazolidine-5-carboxylic acid (CID 58880436) is (5R)-1,3-thiazolidine-5-carboxylic acid.
What is the SMILES notation for (5R)-1,3-thiazolidine-5-carboxylic acid?
The canonical SMILES for (5R)-1,3-thiazolidine-5-carboxylic acid is O=C(O)[C@H]1CNCS1.
What is the InChIKey of (5R)-1,3-thiazolidine-5-carboxylic acid?
The InChIKey is QCJLSCRVJRTFKT-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7NO2S/c6-4(7)3-1-5-2-8-3/h3,5H,1-2H2,(H,6,7)/t3-/m1/s1.
What are the key properties of (5R)-1,3-thiazolidine-5-carboxylic acid?
(5R)-1,3-thiazolidine-5-carboxylic acid has a molecular weight of 133.17 g/mol, XLogP of -0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,3-thiazolidine-5-carboxylic acid is sourced from PubChem (CID 58880436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).