(2S)-2-(dibenzylamino)-3-phenylpropanoic acid

C23H23NO2 — CID 10980880

IUPAC(2S)-2-(dibenzylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26)22(16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)/t22-/m0/s1
InChIKeyBTVXUNDDVUJORV-QFIPXVFZSA-N
MW345.44 g/mol
LogP4.38
Rot. Bonds8

About (2S)-2-(dibenzylamino)-3-phenylpropanoic acid

(2S)-2-(dibenzylamino)-3-phenylpropanoic acid (PubChem CID 10980880) has the molecular formula C23H23NO2 and a molecular weight of 345.44 g/mol. Its IUPAC name is (2S)-2-(dibenzylamino)-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-(dibenzylamino)-3-phenylpropanoic acid
PubChem CID10980880
Molecular FormulaC23H23NO2
Molecular Weight345.44 g/mol
Exact Mass345.17
IUPAC Name(2S)-2-(dibenzylamino)-3-phenylpropanoic acid
SMILESO=C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H23NO2/c25-23(26)22(16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)/t22-/m0/s1
InChIKeyBTVXUNDDVUJORV-QFIPXVFZSA-N
XLogP4.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dibenzylamino)-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-(dibenzylamino)-3-phenylpropanoic acid (CID 10980880) is (2S)-2-(dibenzylamino)-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-(dibenzylamino)-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-(dibenzylamino)-3-phenylpropanoic acid is O=C(O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-2-(dibenzylamino)-3-phenylpropanoic acid?
The InChIKey is BTVXUNDDVUJORV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H23NO2/c25-23(26)22(16-19-10-4-1-5-11-19)24(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,26)/t22-/m0/s1.
What are the key properties of (2S)-2-(dibenzylamino)-3-phenylpropanoic acid?
(2S)-2-(dibenzylamino)-3-phenylpropanoic acid has a molecular weight of 345.44 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dibenzylamino)-3-phenylpropanoic acid is sourced from PubChem (CID 10980880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).