(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid

C15H16N2O4S — CID 119367546

IUPAC(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESCc1sc(=O)n(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C15H16N2O4S/c1-9-10(2)22-15(21)17(9)8-12(18)16-13(14(19)20)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyOUFSABNZXGVCNC-CYBMUJFWSA-N
MW320.37 g/mol
LogP1.47
Rot. Bonds5

About (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid

(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid (PubChem CID 119367546) has the molecular formula C15H16N2O4S and a molecular weight of 320.37 g/mol. Its IUPAC name is (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
PubChem CID119367546
Molecular FormulaC15H16N2O4S
Molecular Weight320.37 g/mol
Exact Mass320.08
IUPAC Name(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
SMILESCc1sc(=O)n(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c1C
InChIInChI=1S/C15H16N2O4S/c1-9-10(2)22-15(21)17(9)8-12(18)16-13(14(19)20)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1
InChIKeyOUFSABNZXGVCNC-CYBMUJFWSA-N
XLogP1.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]hexanoic acid
CID 120614019
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
ethane;2-phenyl-2-(propanoylamino)acetic acid
CID 169177605
N-(2-amino-2-phenylethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 119527916
(2R)-2-[[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367826
(2S)-2-phenyl-2-[(2-propylsulfanylacetyl)amino]acetic acid
CID 119372714
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
(2R)-2-phenyl-2-[(2-phenylacetyl)amino]acetic acid
CID 3049856
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 43358379
(2S)-2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 103804710
(2R)-2-(but-3-enoylamino)-2-phenylacetic acid
CID 62679483
2-[(2-methoxyacetyl)amino]-2-phenylacetic acid
CID 16776085

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid (CID 119367546) is (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid is Cc1sc(=O)n(CC(=O)N[C@@H](C(=O)O)c2ccccc2)c1C.
What is the InChIKey of (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid?
The InChIKey is OUFSABNZXGVCNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H16N2O4S/c1-9-10(2)22-15(21)17(9)8-12(18)16-13(14(19)20)11-6-4-3-5-7-11/h3-7,13H,8H2,1-2H3,(H,16,18)(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid?
(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid has a molecular weight of 320.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).