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

C10H16N2O5S — CID 54969537

IUPAC2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O5S/c1-17-3-2-11(5-10(15)16)8(13)4-12-7-18-6-9(12)14/h2-7H2,1H3,(H,15,16)
InChIKeyCBTILWWRBNNOSS-UHFFFAOYSA-N
MW276.31 g/mol
LogP-0.92
Rot. Bonds7

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

2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 54969537) has the molecular formula C10H16N2O5S and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID54969537
Molecular FormulaC10H16N2O5S
Molecular Weight276.31 g/mol
Exact Mass276.08
IUPAC Name2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C10H16N2O5S/c1-17-3-2-11(5-10(15)16)8(13)4-12-7-18-6-9(12)14/h2-7H2,1H3,(H,15,16)
InChIKeyCBTILWWRBNNOSS-UHFFFAOYSA-N
XLogP-0.92
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 5-0.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 54969537) is 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is COCCN(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is CBTILWWRBNNOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S/c1-17-3-2-11(5-10(15)16)8(13)4-12-7-18-6-9(12)14/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 276.31 g/mol, XLogP of -0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54969537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).