[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid

C14H16NO3P — CID 46885903

IUPAC[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid
SMILESNC(c1ccccc1)P(=O)(O)C(O)c1ccccc1
InChIInChI=1S/C14H16NO3P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2,(H,17,18)
InChIKeyVWAWWJPAKWNSCV-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.61
Rot. Bonds4

About [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid

[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid (PubChem CID 46885903) has the molecular formula C14H16NO3P and a molecular weight of 277.26 g/mol. Its IUPAC name is [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid.

Molecular Properties

Compound Name[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid
PubChem CID46885903
Molecular FormulaC14H16NO3P
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid
SMILESNC(c1ccccc1)P(=O)(O)C(O)c1ccccc1
InChIInChI=1S/C14H16NO3P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2,(H,17,18)
InChIKeyVWAWWJPAKWNSCV-UHFFFAOYSA-N
XLogP2.61
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid?
The IUPAC name of [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid (CID 46885903) is [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid.
What is the SMILES notation for [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid?
The canonical SMILES for [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid is NC(c1ccccc1)P(=O)(O)C(O)c1ccccc1.
What is the InChIKey of [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid?
The InChIKey is VWAWWJPAKWNSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16NO3P/c15-13(11-7-3-1-4-8-11)19(17,18)14(16)12-9-5-2-6-10-12/h1-10,13-14,16H,15H2,(H,17,18).
What are the key properties of [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid?
[amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid has a molecular weight of 277.26 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(phenyl)methyl]-[hydroxy(phenyl)methyl]phosphinic acid is sourced from PubChem (CID 46885903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).