3-propanoyl-1,3-thiazolidine-2-carboxylic acid

C7H11NO3S — CID 20648923

IUPAC3-propanoyl-1,3-thiazolidine-2-carboxylic acid
SMILESCCC(=O)N1CCSC1C(=O)O
InChIInChI=1S/C7H11NO3S/c1-2-5(9)8-3-4-12-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyRITRDEOWSGDSNO-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.38
Rot. Bonds2

About 3-propanoyl-1,3-thiazolidine-2-carboxylic acid

3-propanoyl-1,3-thiazolidine-2-carboxylic acid (PubChem CID 20648923) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 3-propanoyl-1,3-thiazolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-propanoyl-1,3-thiazolidine-2-carboxylic acid
PubChem CID20648923
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name3-propanoyl-1,3-thiazolidine-2-carboxylic acid
SMILESCCC(=O)N1CCSC1C(=O)O
InChIInChI=1S/C7H11NO3S/c1-2-5(9)8-3-4-12-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)
InChIKeyRITRDEOWSGDSNO-UHFFFAOYSA-N
XLogP0.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Thiazolidinecarboxylic acid, 3-acetyl-
CID 98928
3-(2-Mercapto-propionyl)-thiazolidine-4-carboxylic acid
CID 44378814
3-Formyl-2,2-dimethylthiazolidine-4-carboxylic acid
CID 2786994
(4R)-3-Acetyl-4-thiazolidinecarboxylic acid
CID 197107
2-Oxo-3-thiazolidineacetic acid
CID 4962399
(5-Ethyl-4-oxo-2-thioxo-thiazolidin-3-yl)-acetic acid
CID 3094487
(4R)-3-[(2S)-2-acetylsulfanylpropanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 13599153
4-Thiazolidinecarboxylic acid, 3-(2-mercapto-1-oxopropyl)-, (S-(R*,S*))-
CID 154993
2-(4-Oxo-1,3-thiazolidin-3-yl)acetic acid
CID 5147257
3-Butanoyl-1,3-thiazolidine-4-carboxylic acid
CID 17978710
3-(2,2-Dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 19823286
(4R)-3-(3-Sulfanylpropanoyl)-1,3-thiazolidine-4-carboxylic acid
CID 12889987

Frequently Asked Questions

What is the IUPAC name of 3-propanoyl-1,3-thiazolidine-2-carboxylic acid?
The IUPAC name of 3-propanoyl-1,3-thiazolidine-2-carboxylic acid (CID 20648923) is 3-propanoyl-1,3-thiazolidine-2-carboxylic acid.
What is the SMILES notation for 3-propanoyl-1,3-thiazolidine-2-carboxylic acid?
The canonical SMILES for 3-propanoyl-1,3-thiazolidine-2-carboxylic acid is CCC(=O)N1CCSC1C(=O)O.
What is the InChIKey of 3-propanoyl-1,3-thiazolidine-2-carboxylic acid?
The InChIKey is RITRDEOWSGDSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-2-5(9)8-3-4-12-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-propanoyl-1,3-thiazolidine-2-carboxylic acid?
3-propanoyl-1,3-thiazolidine-2-carboxylic acid has a molecular weight of 189.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propanoyl-1,3-thiazolidine-2-carboxylic acid is sourced from PubChem (CID 20648923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).