2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid

C28H24NO4P — CID 162406679

IUPAC2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid
SMILESO=C(NC(CP(=O)(c1ccccc1)c1ccccc1)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24NO4P/c30-26(22-13-5-1-6-14-22)29-28(27(31)32,23-15-7-2-8-16-23)21-34(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2,(H,29,30)(H,31,32)
InChIKeyAOHPSOHXTACBLJ-UHFFFAOYSA-N
MW469.48 g/mol
LogP4.41
Rot. Bonds8

About 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid

2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid (PubChem CID 162406679) has the molecular formula C28H24NO4P and a molecular weight of 469.48 g/mol. Its IUPAC name is 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid.

Molecular Properties

Compound Name2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid
PubChem CID162406679
Molecular FormulaC28H24NO4P
Molecular Weight469.48 g/mol
Exact Mass469.14
IUPAC Name2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid
SMILESO=C(NC(CP(=O)(c1ccccc1)c1ccccc1)(C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C28H24NO4P/c30-26(22-13-5-1-6-14-22)29-28(27(31)32,23-15-7-2-8-16-23)21-34(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2,(H,29,30)(H,31,32)
InChIKeyAOHPSOHXTACBLJ-UHFFFAOYSA-N
XLogP4.41
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-benzamido-3-hydroxy-2-phenylpropanoic acid
CID 57143055
2-(diphenylphosphorylmethyl)-3-methoxy-2-methyl-3-oxopropanoic acid
CID 164684544
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N-(4-methyl-2-phenylpentan-2-yl)benzamide
CID 91484527
(2S)-2-[[3-(methylsulfonylmethyl)benzoyl]amino]-2-phenylbutanoic acid
CID 97233913
ethyl 3-diphenylphosphoryl-2-(4-fluorophenyl)-2-hydroxypropanoate
CID 132569334
2-benzamido-2,2-diiodoacetyl iodide
CID 168873190
ethyl 3-diphenylphosphoryl-2-hydroxy-2-(4-methoxyphenyl)propanoate
CID 132569331
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2-[(5-chlorothiophene-2-carbonyl)amino]-2-phenylbutanoic acid
CID 68637832
2-[(1-tert-butylpyrazole-4-carbonyl)amino]-2-phenylbutanoic acid
CID 119201684
3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid?
The IUPAC name of 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid (CID 162406679) is 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid.
What is the SMILES notation for 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid?
The canonical SMILES for 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid is O=C(NC(CP(=O)(c1ccccc1)c1ccccc1)(C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid?
The InChIKey is AOHPSOHXTACBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24NO4P/c30-26(22-13-5-1-6-14-22)29-28(27(31)32,23-15-7-2-8-16-23)21-34(33,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2,(H,29,30)(H,31,32).
What are the key properties of 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid?
2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid has a molecular weight of 469.48 g/mol, XLogP of 4.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-3-diphenylphosphoryl-2-phenylpropanoic acid is sourced from PubChem (CID 162406679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).