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

C14H16N2O4S — CID 103804375

IUPAC(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1CSCC1=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-11(14(19)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20)/t11-/m1/s1
InChIKeyGEIUAUVXHVTNGM-LLVKDONJSA-N
MW308.36 g/mol
LogP0.33
Rot. Bonds6

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

(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid (PubChem CID 103804375) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
PubChem CID103804375
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC Name(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid
SMILESO=C(CN1CSCC1=O)N[C@H](Cc1ccccc1)C(=O)O
InChIInChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-11(14(19)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20)/t11-/m1/s1
InChIKeyGEIUAUVXHVTNGM-LLVKDONJSA-N
XLogP0.33
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 ≤ 50.33
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]butanoic acid
CID 43469224
(2R)-2-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367288
2-[(3-methylphenyl)methyl]-3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]propanoic acid
CID 119243008
3-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884019
(2R)-3-phenyl-2-[[2-(4-phenyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]propanoic acid
CID 166366691
N-(2-amino-1-naphthalen-2-ylethyl)-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120567800
methyl (2S)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoate
CID 18092973
(4-phenylphenyl)methyl 2-(4-oxo-1,3-thiazolidin-3-yl)acetate
CID 24633772
(2R)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119367435
2-(3,5-dioxothiomorpholin-4-yl)-3-phenylpropanoic acid
CID 104570352
(2S)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 22869856
(2R)-2-[[10-[[(1S)-1-carboxy-2-phenylethyl]amino]-10-oxodecanoyl]amino]-3-phenylpropanoic acid
CID 27154395

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid (CID 103804375) is (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid is O=C(CN1CSCC1=O)N[C@H](Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is GEIUAUVXHVTNGM-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O4S/c17-12(7-16-9-21-8-13(16)18)15-11(14(19)20)6-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H,15,17)(H,19,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid?
(2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 308.36 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 103804375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).