(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid

C8H12NO4P — CID 53319077

IUPAC(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid
SMILESNC(c1ccccc1)C(O)P(=O)(O)O
InChIInChI=1S/C8H12NO4P/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8,10H,9H2,(H2,11,12,13)
InChIKeyJNJDAWREPZWYIL-UHFFFAOYSA-N
MW217.16 g/mol
LogP0.18
Rot. Bonds3

About (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid

(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid (PubChem CID 53319077) has the molecular formula C8H12NO4P and a molecular weight of 217.16 g/mol. Its IUPAC name is (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid.

Molecular Properties

Compound Name(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid
PubChem CID53319077
Molecular FormulaC8H12NO4P
Molecular Weight217.16 g/mol
Exact Mass217.05
IUPAC Name(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid
SMILESNC(c1ccccc1)C(O)P(=O)(O)O
InChIInChI=1S/C8H12NO4P/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8,10H,9H2,(H2,11,12,13)
InChIKeyJNJDAWREPZWYIL-UHFFFAOYSA-N
XLogP0.18
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.16
LogP ≤ 50.18
H-Bond Donors ≤ 54
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 (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid?
The IUPAC name of (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid (CID 53319077) is (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid.
What is the SMILES notation for (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid?
The canonical SMILES for (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid is NC(c1ccccc1)C(O)P(=O)(O)O.
What is the InChIKey of (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid?
The InChIKey is JNJDAWREPZWYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO4P/c9-7(8(10)14(11,12)13)6-4-2-1-3-5-6/h1-5,7-8,10H,9H2,(H2,11,12,13).
What are the key properties of (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid?
(2-amino-1-hydroxy-2-phenylethyl)phosphonic acid has a molecular weight of 217.16 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-hydroxy-2-phenylethyl)phosphonic acid is sourced from PubChem (CID 53319077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).