methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate

C24H25NO3 — CID 57201591

IUPACmethyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-28-24(27)23(16-19-12-14-22(26)15-13-19)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1
InChIKeyBFNSSQWDQAAEJR-QHCPKHFHSA-N
MW375.47 g/mol
LogP4.18
Rot. Bonds8

About methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate

methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate (PubChem CID 57201591) has the molecular formula C24H25NO3 and a molecular weight of 375.47 g/mol. Its IUPAC name is methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate
PubChem CID57201591
Molecular FormulaC24H25NO3
Molecular Weight375.47 g/mol
Exact Mass375.18
IUPAC Namemethyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H25NO3/c1-28-24(27)23(16-19-12-14-22(26)15-13-19)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1
InChIKeyBFNSSQWDQAAEJR-QHCPKHFHSA-N
XLogP4.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate 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-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate (CID 57201591) is methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate is COC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate?
The InChIKey is BFNSSQWDQAAEJR-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H25NO3/c1-28-24(27)23(16-19-12-14-22(26)15-13-19)25(17-20-8-4-2-5-9-20)18-21-10-6-3-7-11-21/h2-15,23,26H,16-18H2,1H3/t23-/m0/s1.
What are the key properties of methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate?
methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate has a molecular weight of 375.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(dibenzylamino)-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 57201591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).