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

C14H16N2O4S — CID 62884019

IUPAC3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESO=C(CN1CSCC1=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-6-11(14(19)20)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20)
InChIKeyGCYFVFRTURQAAF-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.50
Rot. Bonds6

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

3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid (PubChem CID 62884019) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
PubChem CID62884019
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
SMILESO=C(CN1CSCC1=O)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-6-11(14(19)20)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20)
InChIKeyGCYFVFRTURQAAF-UHFFFAOYSA-N
XLogP0.50
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]methyl]butanoic acid
CID 65217866
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 119527141
N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 94819247
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 103804375
2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 43170515
2-[(3-methylphenyl)methyl]-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 119243008
N-(2-cyclopropyl-2-hydroxyethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 63295069
N-[(2-chlorophenyl)methyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9209720
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 42906380
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 43354693
N-[4-(4-benzylpiperazin-1-yl)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 55934028
3-[(2-methylsulfanylacetyl)amino]-2-phenylpropanoic acid
CID 62883515

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid (CID 62884019) is 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid is O=C(CN1CSCC1=O)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid?
The InChIKey is GCYFVFRTURQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-6-11(14(19)20)10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20).
What are the key properties of 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid?
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid has a molecular weight of 308.36 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 62884019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).