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

C11H16N2O4S — CID 43360305

IUPAC2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1CSCC1=O)(C(=O)O)C1CC1
InChIInChI=1S/C11H16N2O4S/c1-11(10(16)17,7-2-3-7)12-8(14)4-13-6-18-5-9(13)15/h7H,2-6H2,1H3,(H,12,14)(H,16,17)
InChIKeyRKPZVFJNGDJHLK-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.11
Rot. Bonds5

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

2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (PubChem CID 43360305) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
PubChem CID43360305
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Name2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
SMILESCC(NC(=O)CN1CSCC1=O)(C(=O)O)C1CC1
InChIInChI=1S/C11H16N2O4S/c1-11(10(16)17,7-2-3-7)12-8(14)4-13-6-18-5-9(13)15/h7H,2-6H2,1H3,(H,12,14)(H,16,17)
InChIKeyRKPZVFJNGDJHLK-UHFFFAOYSA-N
XLogP-0.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid (CID 43360305) is 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is CC(NC(=O)CN1CSCC1=O)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
The InChIKey is RKPZVFJNGDJHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-11(10(16)17,7-2-3-7)12-8(14)4-13-6-18-5-9(13)15/h7H,2-6H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid?
2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid has a molecular weight of 272.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 43360305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).