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

C11H18N2O4S — CID 54899461

IUPACmethyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H18N2O4S/c1-3-12(5-4-11(16)17-2)9(14)6-13-8-18-7-10(13)15/h3-8H2,1-2H3
InChIKeyPYVGOQLVSYCKJB-UHFFFAOYSA-N
MW274.34 g/mol
LogP-0.07
Rot. Bonds6

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

methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate (PubChem CID 54899461) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate
PubChem CID54899461
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Namemethyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H18N2O4S/c1-3-12(5-4-11(16)17-2)9(14)6-13-8-18-7-10(13)15/h3-8H2,1-2H3
InChIKeyPYVGOQLVSYCKJB-UHFFFAOYSA-N
XLogP-0.07
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate (CID 54899461) is methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate is CCN(CCC(=O)OC)C(=O)CN1CSCC1=O.
What is the InChIKey of methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate?
The InChIKey is PYVGOQLVSYCKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-12(5-4-11(16)17-2)9(14)6-13-8-18-7-10(13)15/h3-8H2,1-2H3.
What are the key properties of methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate?
methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate has a molecular weight of 274.34 g/mol, XLogP of -0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 54899461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).