3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid

C9H14N2O4S — CID 43172117

IUPAC3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-6(12)10-3-2-8(13)11-5-16-4-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyHFUZWUYBGCCVTL-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.50
Rot. Bonds4

About 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid

3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid (PubChem CID 43172117) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid
PubChem CID43172117
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid
SMILESCC(=O)NCCC(=O)N1CSCC1C(=O)O
InChIInChI=1S/C9H14N2O4S/c1-6(12)10-3-2-8(13)11-5-16-4-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15)
InChIKeyHFUZWUYBGCCVTL-UHFFFAOYSA-N
XLogP-0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The IUPAC name of 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid (CID 43172117) is 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid.
What is the SMILES notation for 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The canonical SMILES for 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid is CC(=O)NCCC(=O)N1CSCC1C(=O)O.
What is the InChIKey of 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
The InChIKey is HFUZWUYBGCCVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-6(12)10-3-2-8(13)11-5-16-4-7(11)9(14)15/h7H,2-5H2,1H3,(H,10,12)(H,14,15).
What are the key properties of 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid?
3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid has a molecular weight of 246.29 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetamidopropanoyl)-1,3-thiazolidine-4-carboxylic acid is sourced from PubChem (CID 43172117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).