(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid

C4H12NO4P — CID 87192218

IUPAC(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid
SMILESCC(C)(C(N)O)P(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-4(2,3(5)6)10(7,8)9/h3,6H,5H2,1-2H3,(H2,7,8,9)
InChIKeyXKQFLLHGEFDAMZ-UHFFFAOYSA-N
MW169.12 g/mol
LogP-0.78
Rot. Bonds2

About (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid

(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid (PubChem CID 87192218) has the molecular formula C4H12NO4P and a molecular weight of 169.12 g/mol. Its IUPAC name is (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid.

Molecular Properties

Compound Name(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid
PubChem CID87192218
Molecular FormulaC4H12NO4P
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Name(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid
SMILESCC(C)(C(N)O)P(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-4(2,3(5)6)10(7,8)9/h3,6H,5H2,1-2H3,(H2,7,8,9)
InChIKeyXKQFLLHGEFDAMZ-UHFFFAOYSA-N
XLogP-0.78
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-0.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid?
The IUPAC name of (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid (CID 87192218) is (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid.
What is the SMILES notation for (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid?
The canonical SMILES for (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid is CC(C)(C(N)O)P(=O)(O)O.
What is the InChIKey of (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid?
The InChIKey is XKQFLLHGEFDAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO4P/c1-4(2,3(5)6)10(7,8)9/h3,6H,5H2,1-2H3,(H2,7,8,9).
What are the key properties of (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid?
(1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid has a molecular weight of 169.12 g/mol, XLogP of -0.78, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-hydroxy-2-methylpropan-2-yl)phosphonic acid is sourced from PubChem (CID 87192218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).