3-amino-3-(4-phenylphenyl)propanoic acid

C15H15NO2 — CID 10999161

IUPAC3-amino-3-(4-phenylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10,16H2,(H,17,18)
InChIKeyBJZGTTDEOZUSRH-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.83
Rot. Bonds4

About 3-amino-3-(4-phenylphenyl)propanoic acid

3-amino-3-(4-phenylphenyl)propanoic acid (PubChem CID 10999161) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-amino-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(4-phenylphenyl)propanoic acid
PubChem CID10999161
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-amino-3-(4-phenylphenyl)propanoic acid
SMILESNC(CC(=O)O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H15NO2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10,16H2,(H,17,18)
InChIKeyBJZGTTDEOZUSRH-UHFFFAOYSA-N
XLogP2.83
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of 3-amino-3-(4-phenylphenyl)propanoic acid (CID 10999161) is 3-amino-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(4-phenylphenyl)propanoic acid is NC(CC(=O)O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-amino-3-(4-phenylphenyl)propanoic acid?
The InChIKey is BJZGTTDEOZUSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c16-14(10-15(17)18)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14H,10,16H2,(H,17,18).
What are the key properties of 3-amino-3-(4-phenylphenyl)propanoic acid?
3-amino-3-(4-phenylphenyl)propanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 10999161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).