2-(1,3-thiazolidin-2-yl)propanoic acid

C6H11NO2S — CID 13451617

IUPAC2-(1,3-thiazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCS1
InChIInChI=1S/C6H11NO2S/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyCMVKHCRKBVUWBB-UHFFFAOYSA-N
MW161.23 g/mol
LogP0.37
Rot. Bonds2

About 2-(1,3-thiazolidin-2-yl)propanoic acid

2-(1,3-thiazolidin-2-yl)propanoic acid (PubChem CID 13451617) has the molecular formula C6H11NO2S and a molecular weight of 161.23 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-yl)propanoic acid
PubChem CID13451617
Molecular FormulaC6H11NO2S
Molecular Weight161.23 g/mol
Exact Mass161.05
IUPAC Name2-(1,3-thiazolidin-2-yl)propanoic acid
SMILESCC(C(=O)O)C1NCCS1
InChIInChI=1S/C6H11NO2S/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9)
InChIKeyCMVKHCRKBVUWBB-UHFFFAOYSA-N
XLogP0.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-Pyrrolidin-3-ylsulfanylpropanoic acid
CID 19736783
2,2-Dimethyl-1,3-thiazolidine-5-carboxylic acid
CID 20369847
3-Butylsulfanyl-3-(methylamino)propanoic acid
CID 57723613
(5R)-1,3-thiazolidine-5-carboxylic acid
CID 58880436
(2R)-2-(ethylsulfanylmethyl)-3-(methylamino)propanoic acid
CID 59902215
3-(1,3-Thiazolidin-2-yl)butanoic acid
CID 70089285

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-thiazolidin-2-yl)propanoic acid?
The IUPAC name of 2-(1,3-thiazolidin-2-yl)propanoic acid (CID 13451617) is 2-(1,3-thiazolidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(1,3-thiazolidin-2-yl)propanoic acid?
The canonical SMILES for 2-(1,3-thiazolidin-2-yl)propanoic acid is CC(C(=O)O)C1NCCS1.
What is the InChIKey of 2-(1,3-thiazolidin-2-yl)propanoic acid?
The InChIKey is CMVKHCRKBVUWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S/c1-4(6(8)9)5-7-2-3-10-5/h4-5,7H,2-3H2,1H3,(H,8,9).
What are the key properties of 2-(1,3-thiazolidin-2-yl)propanoic acid?
2-(1,3-thiazolidin-2-yl)propanoic acid has a molecular weight of 161.23 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-yl)propanoic acid is sourced from PubChem (CID 13451617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).