[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

C11H24N3O7P — CID 89155731

IUPAC[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)ON(CCCN)C(C)C(=O)OC
InChIInChI=1S/C11H24N3O7P/c1-8(10(15)19-3)13-22(17,18)21-14(7-5-6-12)9(2)11(16)20-4/h8-9H,5-7,12H2,1-4H3,(H2,13,17,18)
InChIKeyIZKJITCDFGWFLJ-UHFFFAOYSA-N
MW341.30 g/mol
LogP-0.62
Rot. Bonds10

About [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid

[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (PubChem CID 89155731) has the molecular formula C11H24N3O7P and a molecular weight of 341.30 g/mol. Its IUPAC name is [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.

Molecular Properties

Compound Name[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
PubChem CID89155731
Molecular FormulaC11H24N3O7P
Molecular Weight341.30 g/mol
Exact Mass341.14
IUPAC Name[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid
SMILESCOC(=O)C(C)NP(=O)(O)ON(CCCN)C(C)C(=O)OC
InChIInChI=1S/C11H24N3O7P/c1-8(10(15)19-3)13-22(17,18)21-14(7-5-6-12)9(2)11(16)20-4/h8-9H,5-7,12H2,1-4H3,(H2,13,17,18)
InChIKeyIZKJITCDFGWFLJ-UHFFFAOYSA-N
XLogP-0.62
TPSA140.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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 [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The IUPAC name of [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid (CID 89155731) is [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid.
What is the SMILES notation for [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The canonical SMILES for [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is COC(=O)C(C)NP(=O)(O)ON(CCCN)C(C)C(=O)OC.
What is the InChIKey of [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
The InChIKey is IZKJITCDFGWFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N3O7P/c1-8(10(15)19-3)13-22(17,18)21-14(7-5-6-12)9(2)11(16)20-4/h8-9H,5-7,12H2,1-4H3,(H2,13,17,18).
What are the key properties of [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid?
[3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid has a molecular weight of 341.30 g/mol, XLogP of -0.62, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-aminopropyl-(1-methoxy-1-oxopropan-2-yl)amino]oxy-N-(1-methoxy-1-oxopropan-2-yl)phosphonamidic acid is sourced from PubChem (CID 89155731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).