methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate

C24H25NO2 — CID 15297227

IUPACmethyl (2S)-2-(dibenzylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-27-24(26)23(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3/t23-/m0/s1
InChIKeyWPCLKDGMKGQLPX-QHCPKHFHSA-N
MW359.47 g/mol
LogP4.47
Rot. Bonds8

About methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate

methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate (PubChem CID 15297227) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(dibenzylamino)-3-phenylpropanoate
PubChem CID15297227
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Namemethyl (2S)-2-(dibenzylamino)-3-phenylpropanoate
SMILESCOC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO2/c1-27-24(26)23(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3/t23-/m0/s1
InChIKeyWPCLKDGMKGQLPX-QHCPKHFHSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate 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 methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate?
The IUPAC name of methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate (CID 15297227) is methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate.
What is the SMILES notation for methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate?
The canonical SMILES for methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate is COC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate?
The InChIKey is WPCLKDGMKGQLPX-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO2/c1-27-24(26)23(17-20-11-5-2-6-12-20)25(18-21-13-7-3-8-14-21)19-22-15-9-4-10-16-22/h2-16,23H,17-19H2,1H3/t23-/m0/s1.
What are the key properties of methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate?
methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate has a molecular weight of 359.47 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dibenzylamino)-3-phenylpropanoate is sourced from PubChem (CID 15297227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).