(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid

C22H21NO2 — CID 162454310

IUPAC(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid
SMILESO=C(O)[C@@H](NCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)21(23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,24,25)/t21-/m0/s1
InChIKeyFSPXQLAEVFRKKQ-NRFANRHFSA-N
MW331.42 g/mol
LogP4.06
Rot. Bonds7

About (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid

(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid (PubChem CID 162454310) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid
PubChem CID162454310
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid
SMILESO=C(O)[C@@H](NCc1ccccc1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)21(23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,24,25)/t21-/m0/s1
InChIKeyFSPXQLAEVFRKKQ-NRFANRHFSA-N
XLogP4.06
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid?
The IUPAC name of (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid (CID 162454310) is (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid.
What is the SMILES notation for (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid?
The canonical SMILES for (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid is O=C(O)[C@@H](NCc1ccccc1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid?
The InChIKey is FSPXQLAEVFRKKQ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)21(23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20-21,23H,16H2,(H,24,25)/t21-/m0/s1.
What are the key properties of (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid?
(2S)-2-(benzylamino)-3,3-diphenylpropanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-3,3-diphenylpropanoic acid is sourced from PubChem (CID 162454310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).