2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid

C15H15NO3S — CID 62883842

IUPAC2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccsc1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-14(8-11-6-7-20-10-11)16-9-13(15(18)19)12-4-2-1-3-5-12/h1-7,10,13H,8-9H2,(H,16,17)(H,18,19)
InChIKeyFWTJFYOKIAZPLZ-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.28
Rot. Bonds6

About 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid

2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid (PubChem CID 62883842) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
PubChem CID62883842
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
SMILESO=C(Cc1ccsc1)NCC(C(=O)O)c1ccccc1
InChIInChI=1S/C15H15NO3S/c17-14(8-11-6-7-20-10-11)16-9-13(15(18)19)12-4-2-1-3-5-12/h1-7,10,13H,8-9H2,(H,16,17)(H,18,19)
InChIKeyFWTJFYOKIAZPLZ-UHFFFAOYSA-N
XLogP2.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
CID 64561326
2-[[(2-thiophen-3-ylacetyl)amino]methyl]butanoic acid
CID 65219165
2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 86782511
(2R,3S)-2-methyl-3-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 99851556
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 62884193
3-[(5-iodothiophene-3-carbonyl)amino]-2-phenylpropanoic acid
CID 79685262
(2S)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221650
(2R)-3-[[2-(4-ethoxyphenyl)acetyl]amino]-2-phenylpropanoic acid
CID 97221649
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
2-hydroxy-4-[(2-thiophen-3-ylacetyl)amino]butanoic acid
CID 107831984
2-phenyl-3-(thiophene-2-carbonylamino)propanoic acid
CID 62883489
2-phenyl-3-[[2-(2,4,6-trimethylphenyl)acetyl]amino]propanoic acid
CID 120528796

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The IUPAC name of 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid (CID 62883842) is 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid.
What is the SMILES notation for 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The canonical SMILES for 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid is O=C(Cc1ccsc1)NCC(C(=O)O)c1ccccc1.
What is the InChIKey of 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
The InChIKey is FWTJFYOKIAZPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c17-14(8-11-6-7-20-10-11)16-9-13(15(18)19)12-4-2-1-3-5-12/h1-7,10,13H,8-9H2,(H,16,17)(H,18,19).
What are the key properties of 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid?
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid has a molecular weight of 289.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid is sourced from PubChem (CID 62883842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).