N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid

C6H14NO4P — CID 146414807

IUPACN-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid
SMILESCC(=O)NP(=O)(O)OC(C)(C)C
InChIInChI=1S/C6H14NO4P/c1-5(8)7-12(9,10)11-6(2,3)4/h1-4H3,(H2,7,8,9,10)
InChIKeyIVOIQLQYDVBSBJ-UHFFFAOYSA-N
MW195.15 g/mol
LogP1.04
Rot. Bonds2

About N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid

N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid (PubChem CID 146414807) has the molecular formula C6H14NO4P and a molecular weight of 195.15 g/mol. Its IUPAC name is N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid.

Molecular Properties

Compound NameN-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid
PubChem CID146414807
Molecular FormulaC6H14NO4P
Molecular Weight195.15 g/mol
Exact Mass195.07
IUPAC NameN-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid
SMILESCC(=O)NP(=O)(O)OC(C)(C)C
InChIInChI=1S/C6H14NO4P/c1-5(8)7-12(9,10)11-6(2,3)4/h1-4H3,(H2,7,8,9,10)
InChIKeyIVOIQLQYDVBSBJ-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 51.04
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 N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid?
The IUPAC name of N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid (CID 146414807) is N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid.
What is the SMILES notation for N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid?
The canonical SMILES for N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid is CC(=O)NP(=O)(O)OC(C)(C)C.
What is the InChIKey of N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid?
The InChIKey is IVOIQLQYDVBSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO4P/c1-5(8)7-12(9,10)11-6(2,3)4/h1-4H3,(H2,7,8,9,10).
What are the key properties of N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid?
N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid has a molecular weight of 195.15 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-[(2-methylpropan-2-yl)oxy]phosphonamidic acid is sourced from PubChem (CID 146414807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).