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

C11H18N2O4S — CID 54925918

IUPAC2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H18N2O4S/c1-3-8(2)13(5-11(16)17)9(14)4-12-7-18-6-10(12)15/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyGEORMDJFGFJWJM-UHFFFAOYSA-N
MW274.34 g/mol
LogP0.23
Rot. Bonds6

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

2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 54925918) has the molecular formula C11H18N2O4S and a molecular weight of 274.34 g/mol. Its IUPAC name is 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID54925918
Molecular FormulaC11H18N2O4S
Molecular Weight274.34 g/mol
Exact Mass274.10
IUPAC Name2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C11H18N2O4S/c1-3-8(2)13(5-11(16)17)9(14)4-12-7-18-6-10(12)15/h8H,3-7H2,1-2H3,(H,16,17)
InChIKeyGEORMDJFGFJWJM-UHFFFAOYSA-N
XLogP0.23
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 54925918) is 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is GEORMDJFGFJWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S/c1-3-8(2)13(5-11(16)17)9(14)4-12-7-18-6-10(12)15/h8H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 274.34 g/mol, XLogP of 0.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54925918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).