methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate

C34H39NO2Si — CID 164673973

IUPACmethyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate
SMILESCOC(=O)[C@H]([C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H39NO2Si/c1-37-34(36)33(35(26-29-18-10-5-11-19-29)27-30-20-12-6-13-21-30)32(25-24-28-16-8-4-9-17-28)38(2,3)31-22-14-7-15-23-31/h4-23,32-33H,24-27H2,1-3H3/t32-,33-/m0/s1
InChIKeyHJBZTCYQGDSGEM-LQJZCPKCSA-N
MW521.78 g/mol
LogP6.85
Rot. Bonds12

About methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate

methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate (PubChem CID 164673973) has the molecular formula C34H39NO2Si and a molecular weight of 521.78 g/mol. Its IUPAC name is methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate
PubChem CID164673973
Molecular FormulaC34H39NO2Si
Molecular Weight521.78 g/mol
Exact Mass521.28
IUPAC Namemethyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate
SMILESCOC(=O)[C@H]([C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H39NO2Si/c1-37-34(36)33(35(26-29-18-10-5-11-19-29)27-30-20-12-6-13-21-30)32(25-24-28-16-8-4-9-17-28)38(2,3)31-22-14-7-15-23-31/h4-23,32-33H,24-27H2,1-3H3/t32-,33-/m0/s1
InChIKeyHJBZTCYQGDSGEM-LQJZCPKCSA-N
XLogP6.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.78
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate 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 (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate?
The IUPAC name of methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate (CID 164673973) is methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate.
What is the SMILES notation for methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate?
The canonical SMILES for methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate is COC(=O)[C@H]([C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate?
The InChIKey is HJBZTCYQGDSGEM-LQJZCPKCSA-N. The full InChI is InChI=1S/C34H39NO2Si/c1-37-34(36)33(35(26-29-18-10-5-11-19-29)27-30-20-12-6-13-21-30)32(25-24-28-16-8-4-9-17-28)38(2,3)31-22-14-7-15-23-31/h4-23,32-33H,24-27H2,1-3H3/t32-,33-/m0/s1.
What are the key properties of methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate?
methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate has a molecular weight of 521.78 g/mol, XLogP of 6.85, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-2-(dibenzylamino)-3-[dimethyl(phenyl)silyl]-5-phenylpentanoate is sourced from PubChem (CID 164673973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).