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

C11H18N2O4S — CID 119357474

IUPAC4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1CCSC1=O
InChIInChI=1S/C11H18N2O4S/c1-11(2,4-3-9(15)16)12-8(14)7-13-5-6-18-10(13)17/h3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGWDBNLHAZCSOHK-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.91
Rot. Bonds6

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

4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (PubChem CID 119357474) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
PubChem CID119357474
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
SMILESCC(C)(CCC(=O)O)NC(=O)CN1CCSC1=O
InChIInChI=1S/C11H18N2O4S/c1-11(2,4-3-9(15)16)12-8(14)7-13-5-6-18-10(13)17/h3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyGWDBNLHAZCSOHK-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid (CID 119357474) is 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is CC(C)(CCC(=O)O)NC(=O)CN1CCSC1=O.
What is the InChIKey of 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is GWDBNLHAZCSOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-11(2,4-3-9(15)16)12-8(14)7-13-5-6-18-10(13)17/h3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid?
4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 274.34 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 119357474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).