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

C13H14N2O4S — CID 119367826

IUPAC(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CN1CCSC1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H14N2O4S/c16-10(8-15-6-7-20-13(15)19)14-11(12(17)18)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyUHQWDWWLOGVWMZ-LLVKDONJSA-N
MW294.33 g/mol
LogP1.10
Rot. Bonds5

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

(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 119367826) has the molecular formula C13H14N2O4S and a molecular weight of 294.33 g/mol. Its IUPAC name is (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID119367826
Molecular FormulaC13H14N2O4S
Molecular Weight294.33 g/mol
Exact Mass294.07
IUPAC Name(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESO=C(CN1CCSC1=O)N[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H14N2O4S/c16-10(8-15-6-7-20-13(15)19)14-11(12(17)18)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,16)(H,17,18)/t11-/m1/s1
InChIKeyUHQWDWWLOGVWMZ-LLVKDONJSA-N
XLogP1.10
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 41176869
N-[(4-methoxyphenyl)-phenylmethyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18166415
2-(2-oxo-1,3-thiazolidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 9089962
(2S)-4-methyl-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]pentanoic acid
CID 119361545
N-[1-(4-chlorophenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18140277
N-(2,2-diphenylpropyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18093818
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
N-(2-fluorophenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9074397
(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18090465
(2S)-2-[(2-aminoacetyl)amino]-2-phenylacetic acid;hydrobromide
CID 70535754
N-[(2S)-1-aminopropan-2-yl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide;hydrochloride
CID 120504928

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid (CID 119367826) is (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid is O=C(CN1CCSC1=O)N[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is UHQWDWWLOGVWMZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H14N2O4S/c16-10(8-15-6-7-20-13(15)19)14-11(12(17)18)9-4-2-1-3-5-9/h1-5,11H,6-8H2,(H,14,16)(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 294.33 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).