[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid

C21H22NO3P — CID 101106290

IUPAC[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NO3P/c1-25-26(23,24)21(19-15-9-4-10-16-19)22-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-22H,1H3,(H,23,24)/t21-/m1/s1
InChIKeyMVAGSKBQERRXED-OAQYLSRUSA-N
MW367.39 g/mol
LogP4.90
Rot. Bonds7

About [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid

[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid (PubChem CID 101106290) has the molecular formula C21H22NO3P and a molecular weight of 367.39 g/mol. Its IUPAC name is [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid
PubChem CID101106290
Molecular FormulaC21H22NO3P
Molecular Weight367.39 g/mol
Exact Mass367.13
IUPAC Name[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid
SMILESCOP(=O)(O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H22NO3P/c1-25-26(23,24)21(19-15-9-4-10-16-19)22-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-22H,1H3,(H,23,24)/t21-/m1/s1
InChIKeyMVAGSKBQERRXED-OAQYLSRUSA-N
XLogP4.90
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
methyl 2-(benzhydrylamino)-2-phenylacetate
CID 102355499
[acetamido(phenyl)methyl]phosphonic acid
CID 12726207
(2S)-N-[(S)-dimethoxyphosphoryl(phenyl)methyl]-3,3-dimethylbutan-2-amine
CID 50924024
methyl (2S)-2-dimethoxyphosphoryl-2-phenylacetate
CID 129384892
methyl 2-(benzhydrylamino)-3-hydroxy-4-methylpentanoate
CID 102339823
methyl (2S)-2-[[(4-hydroxyphenyl)-phenylmethyl]amino]propanoate
CID 43723711
[dimethoxyphosphoryl(nitroso)methyl]benzene
CID 56977499
N-benzhydryl-1-diethoxyphosphorylpropan-2-amine
CID 10882944
1-dimethoxyphosphoryl-N-(furan-2-ylmethyl)-1-phenylmethanamine
CID 101448203
[(1S)-1-phenylethyl]phosphonic acid
CID 10511745
dimethylphosphoryl(phenyl)methanol
CID 58658737

Frequently Asked Questions

What is the IUPAC name of [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid?
The IUPAC name of [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid (CID 101106290) is [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid.
What is the SMILES notation for [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid?
The canonical SMILES for [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid is COP(=O)(O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid?
The InChIKey is MVAGSKBQERRXED-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H22NO3P/c1-25-26(23,24)21(19-15-9-4-10-16-19)22-20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,20-22H,1H3,(H,23,24)/t21-/m1/s1.
What are the key properties of [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid?
[(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid has a molecular weight of 367.39 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-(benzhydrylamino)-phenylmethyl]-methoxyphosphinic acid is sourced from PubChem (CID 101106290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).