2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid

C9H16N2O5S — CID 119358530

IUPAC2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-7(9(13)14)10(2)8(12)6-11-4-3-5-17(11,15)16/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyZOZBXQAXWSSKJH-UHFFFAOYSA-N
MW264.30 g/mol
LogP-1.05
Rot. Bonds4

About 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid

2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid (PubChem CID 119358530) has the molecular formula C9H16N2O5S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid
PubChem CID119358530
Molecular FormulaC9H16N2O5S
Molecular Weight264.30 g/mol
Exact Mass264.08
IUPAC Name2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)C(=O)CN1CCCS1(=O)=O
InChIInChI=1S/C9H16N2O5S/c1-7(9(13)14)10(2)8(12)6-11-4-3-5-17(11,15)16/h7H,3-6H2,1-2H3,(H,13,14)
InChIKeyZOZBXQAXWSSKJH-UHFFFAOYSA-N
XLogP-1.05
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid (CID 119358530) is 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)C(=O)CN1CCCS1(=O)=O.
What is the InChIKey of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid?
The InChIKey is ZOZBXQAXWSSKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5S/c1-7(9(13)14)10(2)8(12)6-11-4-3-5-17(11,15)16/h7H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid?
2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid has a molecular weight of 264.30 g/mol, XLogP of -1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1,1-dioxo-1,2-thiazolidin-2-yl)acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).