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

C7H13NO2S — CID 70089285

IUPAC3-(1,3-thiazolidin-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1NCCS1
InChIInChI=1S/C7H13NO2S/c1-5(4-6(9)10)7-8-2-3-11-7/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyDKNNNVTVOQNWKI-UHFFFAOYSA-N
MW175.25 g/mol
LogP0.76
Rot. Bonds3

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

3-(1,3-thiazolidin-2-yl)butanoic acid (PubChem CID 70089285) has the molecular formula C7H13NO2S and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-(1,3-thiazolidin-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(1,3-thiazolidin-2-yl)butanoic acid
PubChem CID70089285
Molecular FormulaC7H13NO2S
Molecular Weight175.25 g/mol
Exact Mass175.07
IUPAC Name3-(1,3-thiazolidin-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1NCCS1
InChIInChI=1S/C7H13NO2S/c1-5(4-6(9)10)7-8-2-3-11-7/h5,7-8H,2-4H2,1H3,(H,9,10)
InChIKeyDKNNNVTVOQNWKI-UHFFFAOYSA-N
XLogP0.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Thiazolidineacetic acid
CID 22276171
2-(1,3-Thiazolidin-2-yl)propanoic acid;hydrochloride
CID 13451618
2-(2-Methyl-1,3-thiazolidin-2-yl)acetic acid
CID 13877363
CID 59705731
CID 59705731
3-Methylsulfanylpyrrolidine-3-carboxylic acid
CID 68632027
2-(1-Carboxy-1-sulfanylpropan-2-yl)-1,3-thiazolidine-4-carboxylic acid
CID 88822514
3-(1,3-Thiazolidin-2-yl)propanoic acid
CID 91512160
2-[2-(Carboxymethyl)-1,3-thiazolidin-5-yl]acetic acid
CID 140441671
1,4-Dithia-6-azaspiro[4.4]nonane-8-carboxylic acid
CID 155024470
2-(1,3-Thiazolidin-2-yl)propanoic acid
CID 13451617
2-(4-Oxo-1,3-thiazolidin-2-yl)butanoic acid
CID 57375138
4-(Thiolan-3-ylamino)butanoic acid
CID 60782851

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazolidin-2-yl)butanoic acid?
The IUPAC name of 3-(1,3-thiazolidin-2-yl)butanoic acid (CID 70089285) is 3-(1,3-thiazolidin-2-yl)butanoic acid.
What is the SMILES notation for 3-(1,3-thiazolidin-2-yl)butanoic acid?
The canonical SMILES for 3-(1,3-thiazolidin-2-yl)butanoic acid is CC(CC(=O)O)C1NCCS1.
What is the InChIKey of 3-(1,3-thiazolidin-2-yl)butanoic acid?
The InChIKey is DKNNNVTVOQNWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S/c1-5(4-6(9)10)7-8-2-3-11-7/h5,7-8H,2-4H2,1H3,(H,9,10).
What are the key properties of 3-(1,3-thiazolidin-2-yl)butanoic acid?
3-(1,3-thiazolidin-2-yl)butanoic acid has a molecular weight of 175.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazolidin-2-yl)butanoic acid is sourced from PubChem (CID 70089285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).