[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid

C4H12NO4P — CID 141337782

IUPAC[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](CN)OCP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-4(2-5)9-3-10(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
InChIKeyXHVINOOSCFYKII-SCSAIBSYSA-N
MW169.12 g/mol
LogP-0.51
Rot. Bonds4

About [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid

[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid (PubChem CID 141337782) has the molecular formula C4H12NO4P and a molecular weight of 169.12 g/mol. Its IUPAC name is [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid
PubChem CID141337782
Molecular FormulaC4H12NO4P
Molecular Weight169.12 g/mol
Exact Mass169.05
IUPAC Name[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid
SMILESC[C@H](CN)OCP(=O)(O)O
InChIInChI=1S/C4H12NO4P/c1-4(2-5)9-3-10(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1
InChIKeyXHVINOOSCFYKII-SCSAIBSYSA-N
XLogP-0.51
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.12
LogP ≤ 5-0.51
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 [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid?
The IUPAC name of [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid (CID 141337782) is [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid.
What is the SMILES notation for [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid?
The canonical SMILES for [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid is C[C@H](CN)OCP(=O)(O)O.
What is the InChIKey of [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid?
The InChIKey is XHVINOOSCFYKII-SCSAIBSYSA-N. The full InChI is InChI=1S/C4H12NO4P/c1-4(2-5)9-3-10(6,7)8/h4H,2-3,5H2,1H3,(H2,6,7,8)/t4-/m1/s1.
What are the key properties of [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid?
[(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid has a molecular weight of 169.12 g/mol, XLogP of -0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-aminopropan-2-yl]oxymethylphosphonic acid is sourced from PubChem (CID 141337782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).