(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium

C10H15NO3P+ — CID 172746552

IUPAC(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium
SMILESCC(C)(O[P+](=O)O)C(N)c1ccccc1
InChIInChI=1S/C10H14NO3P/c1-10(2,14-15(12)13)9(11)8-6-4-3-5-7-8/h3-7,9H,11H2,1-2H3/p+1
InChIKeyUMMDGWXISMWGBI-UHFFFAOYSA-O
MW228.21 g/mol
LogP2.13
Rot. Bonds4

About (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium

(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium (PubChem CID 172746552) has the molecular formula C10H15NO3P+ and a molecular weight of 228.21 g/mol. Its IUPAC name is (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium
PubChem CID172746552
Molecular FormulaC10H15NO3P+
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium
SMILESCC(C)(O[P+](=O)O)C(N)c1ccccc1
InChIInChI=1S/C10H14NO3P/c1-10(2,14-15(12)13)9(11)8-6-4-3-5-7-8/h3-7,9H,11H2,1-2H3/p+1
InChIKeyUMMDGWXISMWGBI-UHFFFAOYSA-O
XLogP2.13
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
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 (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The IUPAC name of (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium (CID 172746552) is (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium.
What is the SMILES notation for (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The canonical SMILES for (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium is CC(C)(O[P+](=O)O)C(N)c1ccccc1.
What is the InChIKey of (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
The InChIKey is UMMDGWXISMWGBI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H14NO3P/c1-10(2,14-15(12)13)9(11)8-6-4-3-5-7-8/h3-7,9H,11H2,1-2H3/p+1.
What are the key properties of (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium?
(1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium has a molecular weight of 228.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-methyl-1-phenylpropan-2-yl)oxy-hydroxy-oxophosphanium is sourced from PubChem (CID 172746552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).