[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid

C14H16NO4P — CID 19883784

IUPAC[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid
SMILESO=P(O)(CN(O)Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO4P/c16-15(11-13-7-3-1-4-8-13)12-20(17,18)19-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18)
InChIKeyKODDPGRWHNAGMR-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.10
Rot. Bonds6

About [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid

[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid (PubChem CID 19883784) has the molecular formula C14H16NO4P and a molecular weight of 293.26 g/mol. Its IUPAC name is [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid.

Molecular Properties

Compound Name[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid
PubChem CID19883784
Molecular FormulaC14H16NO4P
Molecular Weight293.26 g/mol
Exact Mass293.08
IUPAC Name[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid
SMILESO=P(O)(CN(O)Cc1ccccc1)Oc1ccccc1
InChIInChI=1S/C14H16NO4P/c16-15(11-13-7-3-1-4-8-13)12-20(17,18)19-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18)
InChIKeyKODDPGRWHNAGMR-UHFFFAOYSA-N
XLogP3.10
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid?
The IUPAC name of [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid (CID 19883784) is [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid.
What is the SMILES notation for [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid?
The canonical SMILES for [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid is O=P(O)(CN(O)Cc1ccccc1)Oc1ccccc1.
What is the InChIKey of [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid?
The InChIKey is KODDPGRWHNAGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO4P/c16-15(11-13-7-3-1-4-8-13)12-20(17,18)19-14-9-5-2-6-10-14/h1-10,16H,11-12H2,(H,17,18).
What are the key properties of [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid?
[benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid has a molecular weight of 293.26 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(hydroxy)amino]methyl-phenoxyphosphinic acid is sourced from PubChem (CID 19883784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).