methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate

C33H33NO3 — CID 44563616

IUPACmethyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33NO3/c1-37-32(36)30(25-26-15-6-2-7-16-26)34-31(35)23-14-24-33(27-17-8-3-9-18-27,28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-13,15-22,30H,14,23-25H2,1H3,(H,34,35)/t30-/m1/s1
InChIKeyUZFLTJRVRHNPPD-SSEXGKCCSA-N
MW491.63 g/mol
LogP6.09
Rot. Bonds11

About methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate

methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate (PubChem CID 44563616) has the molecular formula C33H33NO3 and a molecular weight of 491.63 g/mol. Its IUPAC name is methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate
PubChem CID44563616
Molecular FormulaC33H33NO3
Molecular Weight491.63 g/mol
Exact Mass491.25
IUPAC Namemethyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate
SMILESCOC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H33NO3/c1-37-32(36)30(25-26-15-6-2-7-16-26)34-31(35)23-14-24-33(27-17-8-3-9-18-27,28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-13,15-22,30H,14,23-25H2,1H3,(H,34,35)/t30-/m1/s1
InChIKeyUZFLTJRVRHNPPD-SSEXGKCCSA-N
XLogP6.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.63
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate?
The IUPAC name of methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate (CID 44563616) is methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate?
The canonical SMILES for methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate is COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCCC(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate?
The InChIKey is UZFLTJRVRHNPPD-SSEXGKCCSA-N. The full InChI is InChI=1S/C33H33NO3/c1-37-32(36)30(25-26-15-6-2-7-16-26)34-31(35)23-14-24-33(27-17-8-3-9-18-27,28-19-10-4-11-20-28)29-21-12-5-13-22-29/h2-13,15-22,30H,14,23-25H2,1H3,(H,34,35)/t30-/m1/s1.
What are the key properties of methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate?
methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate has a molecular weight of 491.63 g/mol, XLogP of 6.09, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-phenyl-2-(5,5,5-triphenylpentanoylamino)propanoate is sourced from PubChem (CID 44563616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).