(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid

C22H21NO2 — CID 121475383

IUPAC(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)21(23-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyTXALEPXSRNGILI-OAQYLSRUSA-N
MW331.42 g/mol
LogP4.14
Rot. Bonds7

About (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid

(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid (PubChem CID 121475383) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
PubChem CID121475383
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1
InChIInChI=1S/C22H21NO2/c24-22(25)21(23-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H,24,25)/t21-/m1/s1
InChIKeyTXALEPXSRNGILI-OAQYLSRUSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-3-phenylpropanoic acid
CID 11832004
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988
(2S)-2-(benzylamino)-3-(4-naphthalen-1-ylphenyl)propanoic acid
CID 67590007
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
(2R)-2-[(4-butoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 120511483
[(2S)-2-(benzylamino)-3-phenylpropanoyl] (2S)-2-(benzylamino)-3-phenylpropanoate
CID 140618635
3-(4-hydroxyphenyl)-2-[(3-hydroxyphenyl)methylamino]propanoic acid
CID 82364579
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839
2-amino-3-(4-phenylphenyl)propanoic acid;(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 66615741
2-[(2-chlorophenyl)methylamino]-3-phenylpropanoic acid
CID 14259182
(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid (CID 121475383) is (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid is O=C(O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCc1ccccc1.
What is the InChIKey of (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid?
The InChIKey is TXALEPXSRNGILI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H21NO2/c24-22(25)21(23-16-18-7-3-1-4-8-18)15-17-11-13-20(14-12-17)19-9-5-2-6-10-19/h1-14,21,23H,15-16H2,(H,24,25)/t21-/m1/s1.
What are the key properties of (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid?
(2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid has a molecular weight of 331.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzylamino)-3-(4-phenylphenyl)propanoic acid is sourced from PubChem (CID 121475383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).