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

C8H12N2O4S — CID 43356159

IUPAC2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C8H12N2O4S/c1-9(3-8(13)14)6(11)2-10-5-15-4-7(10)12/h2-5H2,1H3,(H,13,14)
InChIKeyIRHUWKUPKVLRPB-UHFFFAOYSA-N
MW232.26 g/mol
LogP-0.94
Rot. Bonds4

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

2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (PubChem CID 43356159) has the molecular formula C8H12N2O4S and a molecular weight of 232.26 g/mol. Its IUPAC name is 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
PubChem CID43356159
Molecular FormulaC8H12N2O4S
Molecular Weight232.26 g/mol
Exact Mass232.05
IUPAC Name2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
SMILESCN(CC(=O)O)C(=O)CN1CSCC1=O
InChIInChI=1S/C8H12N2O4S/c1-9(3-8(13)14)6(11)2-10-5-15-4-7(10)12/h2-5H2,1H3,(H,13,14)
InChIKeyIRHUWKUPKVLRPB-UHFFFAOYSA-N
XLogP-0.94
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-0.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid (CID 43356159) is 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is CN(CC(=O)O)C(=O)CN1CSCC1=O.
What is the InChIKey of 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
The InChIKey is IRHUWKUPKVLRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4S/c1-9(3-8(13)14)6(11)2-10-5-15-4-7(10)12/h2-5H2,1H3,(H,13,14).
What are the key properties of 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid?
2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid has a molecular weight of 232.26 g/mol, XLogP of -0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 43356159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).