3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid

C10H16N2O4S — CID 54899113

IUPAC3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O4S/c1-2-11(4-3-10(15)16)8(13)5-12-7-17-6-9(12)14/h2-7H2,1H3,(H,15,16)
InChIKeyNNEDHHXLGMARFN-UHFFFAOYSA-N
MW260.31 g/mol
LogP-0.16
Rot. Bonds6

About 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid

3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 54899113) has the molecular formula C10H16N2O4S and a molecular weight of 260.31 g/mol. Its IUPAC name is 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
PubChem CID54899113
Molecular FormulaC10H16N2O4S
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O4S/c1-2-11(4-3-10(15)16)8(13)5-12-7-17-6-9(12)14/h2-7H2,1H3,(H,15,16)
InChIKeyNNEDHHXLGMARFN-UHFFFAOYSA-N
XLogP-0.16
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (CID 54899113) is 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is NNEDHHXLGMARFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4S/c1-2-11(4-3-10(15)16)8(13)5-12-7-17-6-9(12)14/h2-7H2,1H3,(H,15,16).
What are the key properties of 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 260.31 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 54899113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).