3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid

C19H23NO2 — CID 83776772

IUPAC3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid
SMILESCC(C)c1ccc(CNC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)
InChIKeyRVXIDEIJPVXJAF-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.60
Rot. Bonds7

About 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid

3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid (PubChem CID 83776772) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid.

Molecular Properties

Compound Name3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid
PubChem CID83776772
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid
SMILESCC(C)c1ccc(CNC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C19H23NO2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22)
InChIKeyRVXIDEIJPVXJAF-UHFFFAOYSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid?
The IUPAC name of 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid (CID 83776772) is 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid.
What is the SMILES notation for 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid?
The canonical SMILES for 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid is CC(C)c1ccc(CNC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid?
The InChIKey is RVXIDEIJPVXJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-14(2)17-10-8-16(9-11-17)13-20-18(19(21)22)12-15-6-4-3-5-7-15/h3-11,14,18,20H,12-13H2,1-2H3,(H,21,22).
What are the key properties of 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid?
3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[(4-propan-2-ylphenyl)methylamino]propanoic acid is sourced from PubChem (CID 83776772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).