2-phenyl-3-(2-phenylethylamino)propanoic acid

C17H19NO2 — CID 64564787

IUPAC2-phenyl-3-(2-phenylethylamino)propanoic acid
SMILESO=C(O)C(CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(20)16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1-10,16,18H,11-13H2,(H,19,20)
InChIKeyVBMUVIWAVHSNAY-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.69
Rot. Bonds7

About 2-phenyl-3-(2-phenylethylamino)propanoic acid

2-phenyl-3-(2-phenylethylamino)propanoic acid (PubChem CID 64564787) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-phenyl-3-(2-phenylethylamino)propanoic acid.

Molecular Properties

Compound Name2-phenyl-3-(2-phenylethylamino)propanoic acid
PubChem CID64564787
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-phenyl-3-(2-phenylethylamino)propanoic acid
SMILESO=C(O)C(CNCCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c19-17(20)16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1-10,16,18H,11-13H2,(H,19,20)
InChIKeyVBMUVIWAVHSNAY-UHFFFAOYSA-N
XLogP2.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-3-(2-thiophen-3-ylethylamino)propanoic acid
CID 64561326
3-(3-methoxypropylamino)-2-phenylpropanoic acid
CID 64565855
2-phenyl-3-(4-phenylbutanoylamino)propanoic acid
CID 119254757
3-[2-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-2-phenylpropanoic acid
CID 64561158
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
2-phenyl-3-[2-(trifluoromethylsulfanyl)ethylamino]propanoic acid
CID 106429398
3-(3-methylsulfanylbutylamino)-2-phenylpropanoic acid
CID 113493975
(2S)-2,5-diphenylpentanoic acid
CID 7054365
3-(cyclopropylmethylamino)-2-phenylpropanoic acid
CID 64565407
3-[3-(2-hydroxyethoxy)propylamino]-2-phenylpropanoic acid
CID 106305496
(2S)-2,3-diphenylpropanoic acid
CID 737125
4-(2,2-dichloroethylamino)-2-phenylbutanoic acid
CID 67280218

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2-phenylethylamino)propanoic acid?
The IUPAC name of 2-phenyl-3-(2-phenylethylamino)propanoic acid (CID 64564787) is 2-phenyl-3-(2-phenylethylamino)propanoic acid.
What is the SMILES notation for 2-phenyl-3-(2-phenylethylamino)propanoic acid?
The canonical SMILES for 2-phenyl-3-(2-phenylethylamino)propanoic acid is O=C(O)C(CNCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-phenyl-3-(2-phenylethylamino)propanoic acid?
The InChIKey is VBMUVIWAVHSNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c19-17(20)16(15-9-5-2-6-10-15)13-18-12-11-14-7-3-1-4-8-14/h1-10,16,18H,11-13H2,(H,19,20).
What are the key properties of 2-phenyl-3-(2-phenylethylamino)propanoic acid?
2-phenyl-3-(2-phenylethylamino)propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2-phenylethylamino)propanoic acid is sourced from PubChem (CID 64564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).