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

C11H18N2O4S — CID 43353240

IUPAC4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-7(2)3-8(11(16)17)12-9(14)4-13-6-18-5-10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyKAJPQNJJZYFLRB-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.13
Rot. Bonds6

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

4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (PubChem CID 43353240) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
PubChem CID43353240
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)CN1CSCC1=O)C(=O)O
InChIInChI=1S/C11H18N2O4S/c1-7(2)3-8(11(16)17)12-9(14)4-13-6-18-5-10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyKAJPQNJJZYFLRB-UHFFFAOYSA-N
XLogP0.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (CID 43353240) is 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)CN1CSCC1=O)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is KAJPQNJJZYFLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-7(2)3-8(11(16)17)12-9(14)4-13-6-18-5-10(13)15/h7-8H,3-6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 43353240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).