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

C9H14N2O4S — CID 61021879

IUPAC2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H14N2O4S/c1-2-10(4-9(14)15)7(12)3-11-6-16-5-8(11)13/h2-6H2,1H3,(H,14,15)
InChIKeyUXEZCUFTAMOGFH-UHFFFAOYSA-N
MW246.29 g/mol
LogP-0.55
Rot. Bonds5

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

2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 61021879) has the molecular formula C9H14N2O4S and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID61021879
Molecular FormulaC9H14N2O4S
Molecular Weight246.29 g/mol
Exact Mass246.07
IUPAC Name2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C9H14N2O4S/c1-2-10(4-9(14)15)7(12)3-11-6-16-5-8(11)13/h2-6H2,1H3,(H,14,15)
InChIKeyUXEZCUFTAMOGFH-UHFFFAOYSA-N
XLogP-0.55
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 61021879) is 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is CCN(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is UXEZCUFTAMOGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4S/c1-2-10(4-9(14)15)7(12)3-11-6-16-5-8(11)13/h2-6H2,1H3,(H,14,15).
What are the key properties of 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 246.29 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 61021879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).