3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid

C17H17NO3 — CID 3102733

IUPAC3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(11-13-7-3-1-4-8-13)18-15(12-17(20)21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)(H,20,21)
InChIKeyURKWJOAJRKPEFW-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.56
Rot. Bonds6

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

3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid (PubChem CID 3102733) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid
PubChem CID3102733
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid
SMILESO=C(O)CC(NC(=O)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-16(11-13-7-3-1-4-8-13)18-15(12-17(20)21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)(H,20,21)
InChIKeyURKWJOAJRKPEFW-UHFFFAOYSA-N
XLogP2.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid (CID 3102733) is 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid is O=C(O)CC(NC(=O)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid?
The InChIKey is URKWJOAJRKPEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c19-16(11-13-7-3-1-4-8-13)18-15(12-17(20)21)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,18,19)(H,20,21).
What are the key properties of 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid?
3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 3102733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).