1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid

C9H22NO6P — CID 88965856

IUPAC1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid
SMILESCC(NCCOCCOCCCO)P(=O)(O)O
InChIInChI=1S/C9H22NO6P/c1-9(17(12,13)14)10-3-6-16-8-7-15-5-2-4-11/h9-11H,2-8H2,1H3,(H2,12,13,14)
InChIKeyYUQOBVCPHWXJFZ-UHFFFAOYSA-N
MW271.25 g/mol
LogP-0.48
Rot. Bonds11

About 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid

1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid (PubChem CID 88965856) has the molecular formula C9H22NO6P and a molecular weight of 271.25 g/mol. Its IUPAC name is 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid.

Molecular Properties

Compound Name1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid
PubChem CID88965856
Molecular FormulaC9H22NO6P
Molecular Weight271.25 g/mol
Exact Mass271.12
IUPAC Name1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid
SMILESCC(NCCOCCOCCCO)P(=O)(O)O
InChIInChI=1S/C9H22NO6P/c1-9(17(12,13)14)10-3-6-16-8-7-15-5-2-4-11/h9-11H,2-8H2,1H3,(H2,12,13,14)
InChIKeyYUQOBVCPHWXJFZ-UHFFFAOYSA-N
XLogP-0.48
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
(2R)-2-[3-(2-methoxyethoxy)propylamino]propanoic acid
CID 103410935
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propan-1-ol
CID 15061564
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;methylphosphonic acid
CID 175378176
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061
S-sulfanyl 2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanethioate
CID 167191582
methyl 2-[2-[2-(2-butoxyethoxy)ethoxy]ethylamino]propanoate
CID 104561977
3-methyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]butan-2-one
CID 163495040
4-[2-(propylamino)ethoxy]butan-1-ol
CID 106937948

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid?
The IUPAC name of 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid (CID 88965856) is 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid.
What is the SMILES notation for 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid?
The canonical SMILES for 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid is CC(NCCOCCOCCCO)P(=O)(O)O.
What is the InChIKey of 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid?
The InChIKey is YUQOBVCPHWXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO6P/c1-9(17(12,13)14)10-3-6-16-8-7-15-5-2-4-11/h9-11H,2-8H2,1H3,(H2,12,13,14).
What are the key properties of 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid?
1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid has a molecular weight of 271.25 g/mol, XLogP of -0.48, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]ethylphosphonic acid is sourced from PubChem (CID 88965856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).