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

C9H12N2O6S — CID 55246126

IUPAC2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H12N2O6S/c12-6(1-11-5-18-4-7(11)13)10(2-8(14)15)3-9(16)17/h1-5H2,(H,14,15)(H,16,17)
InChIKeyQTXNDZUEMJHYBA-UHFFFAOYSA-N
MW276.27 g/mol
LogP-1.48
Rot. Bonds6

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

2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 55246126) has the molecular formula C9H12N2O6S and a molecular weight of 276.27 g/mol. Its IUPAC name is 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID55246126
Molecular FormulaC9H12N2O6S
Molecular Weight276.27 g/mol
Exact Mass276.04
IUPAC Name2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H12N2O6S/c12-6(1-11-5-18-4-7(11)13)10(2-8(14)15)3-9(16)17/h1-5H2,(H,14,15)(H,16,17)
InChIKeyQTXNDZUEMJHYBA-UHFFFAOYSA-N
XLogP-1.48
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 5-1.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 55246126) is 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is QTXNDZUEMJHYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O6S/c12-6(1-11-5-18-4-7(11)13)10(2-8(14)15)3-9(16)17/h1-5H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 276.27 g/mol, XLogP of -1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 55246126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).