2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid

C15H17NO2S — CID 64561326

IUPAC2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
SMILESO=C(O)C(CNCCc1ccsc1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-15(18)14(13-4-2-1-3-5-13)10-16-8-6-12-7-9-19-11-12/h1-5,7,9,11,14,16H,6,8,10H2,(H,17,18)
InChIKeyFHIVRYKZCHWKLA-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.75
Rot. Bonds7

About 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid

2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid (PubChem CID 64561326) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
PubChem CID64561326
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
SMILESO=C(O)C(CNCCc1ccsc1)c1ccccc1
InChIInChI=1S/C15H17NO2S/c17-15(18)14(13-4-2-1-3-5-13)10-16-8-6-12-7-9-19-11-12/h1-5,7,9,11,14,16H,6,8,10H2,(H,17,18)
InChIKeyFHIVRYKZCHWKLA-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-(2-phenylethylamino)propanoic acid
CID 64564787
2-phenyl-3-[(2-thiophen-3-ylacetyl)amino]propanoic acid
CID 62883842
benzyl 2-methyl-3-(2-thiophen-3-ylethylamino)propanoate
CID 106483976
N-benzhydryl-2-thiophen-3-ylethanamine
CID 61474886
1-(2-hydroxy-1-phenylethyl)-3-(2-thiophen-3-ylethyl)urea
CID 110895806
(2R)-2-phenyl-2-(3-thiophen-3-ylpropanoylamino)acetic acid
CID 99849615
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
1-phenylmethoxy-3-(2-thiophen-3-ylethylamino)propan-2-ol
CID 61473661
(2S)-3-(2-thiophen-3-ylethylamino)propane-1,2-diol
CID 61474151
N-[(4-phenylphenyl)methyl]-2-thiophen-3-ylethanamine
CID 63455136
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid (CID 64561326) is 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid is O=C(O)C(CNCCc1ccsc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid?
The InChIKey is FHIVRYKZCHWKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c17-15(18)14(13-4-2-1-3-5-13)10-16-8-6-12-7-9-19-11-12/h1-5,7,9,11,14,16H,6,8,10H2,(H,17,18).
What are the key properties of 2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid?
2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid has a molecular weight of 275.37 g/mol, XLogP of 2.75, 7 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-ylethylamino)propanoic acid is sourced from PubChem (CID 64561326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).