2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid

C14H30NO6P — CID 24938426

IUPAC2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid
SMILESCCCOP(=O)(OCCC)N(OC(C)(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H30NO6P/c1-8-10-19-22(18,20-11-9-2)15(13(3,4)5)21-14(6,7)12(16)17/h8-11H2,1-7H3,(H,16,17)
InChIKeyMTAWEIKQUUASTD-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.84
Rot. Bonds10

About 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid

2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid (PubChem CID 24938426) has the molecular formula C14H30NO6P and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid
PubChem CID24938426
Molecular FormulaC14H30NO6P
Molecular Weight339.37 g/mol
Exact Mass339.18
IUPAC Name2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid
SMILESCCCOP(=O)(OCCC)N(OC(C)(C)C(=O)O)C(C)(C)C
InChIInChI=1S/C14H30NO6P/c1-8-10-19-22(18,20-11-9-2)15(13(3,4)5)21-14(6,7)12(16)17/h8-11H2,1-7H3,(H,16,17)
InChIKeyMTAWEIKQUUASTD-UHFFFAOYSA-N
XLogP3.84
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid (CID 24938426) is 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid is CCCOP(=O)(OCCC)N(OC(C)(C)C(=O)O)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid?
The InChIKey is MTAWEIKQUUASTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30NO6P/c1-8-10-19-22(18,20-11-9-2)15(13(3,4)5)21-14(6,7)12(16)17/h8-11H2,1-7H3,(H,16,17).
What are the key properties of 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid?
2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid has a molecular weight of 339.37 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dipropoxyphosphoryl)amino]oxy-2-methylpropanoic acid is sourced from PubChem (CID 24938426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).