2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid

C14H13NO4S — CID 115283749

IUPAC2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-12(9-5-2-1-3-6-9)13(17)15-11(14(18)19)10-7-4-8-20-10/h1-8,11-12,16H,(H,15,17)(H,18,19)
InChIKeySJKXLUKDKMCRRA-UHFFFAOYSA-N
MW291.33 g/mol
LogP1.72
Rot. Bonds5

About 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid

2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid (PubChem CID 115283749) has the molecular formula C14H13NO4S and a molecular weight of 291.33 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
PubChem CID115283749
Molecular FormulaC14H13NO4S
Molecular Weight291.33 g/mol
Exact Mass291.06
IUPAC Name2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid
SMILESO=C(NC(C(=O)O)c1cccs1)C(O)c1ccccc1
InChIInChI=1S/C14H13NO4S/c16-12(9-5-2-1-3-6-9)13(17)15-11(14(18)19)10-7-4-8-20-10/h1-8,11-12,16H,(H,15,17)(H,18,19)
InChIKeySJKXLUKDKMCRRA-UHFFFAOYSA-N
XLogP1.72
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(2-amino-2-thiophen-2-ylacetyl)amino]-2-phenylacetic acid
CID 115286894
2-(2-phenylbutanoylamino)-2-thiophen-2-ylacetic acid
CID 115284115
2-[(3-amino-2-methylbutanoyl)amino]-2-thiophen-2-ylacetic acid
CID 113416393
2-acetamido-2-thiophen-2-ylacetic acid;methane
CID 21485358
2-[[(2R)-2-aminobutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 115284834
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
2-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278774
2-[(2-amino-2-phenylpropanoyl)amino]-2-thiophen-2-ylacetic acid
CID 115284689
2-(benzylcarbamoylamino)-2-thiophen-2-ylacetic acid
CID 115285112
2-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-thiophen-2-ylacetic acid
CID 113278764
(2R)-2-[[(2R)-2-hydroxy-2-phenylacetyl]amino]propanoic acid
CID 14503812

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid (CID 115283749) is 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid is O=C(NC(C(=O)O)c1cccs1)C(O)c1ccccc1.
What is the InChIKey of 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid?
The InChIKey is SJKXLUKDKMCRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4S/c16-12(9-5-2-1-3-6-9)13(17)15-11(14(18)19)10-7-4-8-20-10/h1-8,11-12,16H,(H,15,17)(H,18,19).
What are the key properties of 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid?
2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid has a molecular weight of 291.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-phenylacetyl)amino]-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 115283749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).