2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid

C7H19NO8P2 — CID 90013651

IUPAC2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid
SMILESO=P(O)(O)CCN(CCO)CCOCP(=O)(O)O
InChIInChI=1S/C7H19NO8P2/c9-4-1-8(3-6-17(10,11)12)2-5-16-7-18(13,14)15/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyRMLHQCNLHBQUOW-UHFFFAOYSA-N
MW307.18 g/mol
LogP-1.39
Rot. Bonds10

About 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid

2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid (PubChem CID 90013651) has the molecular formula C7H19NO8P2 and a molecular weight of 307.18 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid
PubChem CID90013651
Molecular FormulaC7H19NO8P2
Molecular Weight307.18 g/mol
Exact Mass307.06
IUPAC Name2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid
SMILESO=P(O)(O)CCN(CCO)CCOCP(=O)(O)O
InChIInChI=1S/C7H19NO8P2/c9-4-1-8(3-6-17(10,11)12)2-5-16-7-18(13,14)15/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15)
InChIKeyRMLHQCNLHBQUOW-UHFFFAOYSA-N
XLogP-1.39
TPSA147.76 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.18
LogP ≤ 5-1.39
H-Bond Donors ≤ 55
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

2-[2-(6-oxo-1H-purin-9-yl)ethyl-(2-phosphonoethyl)amino]ethoxymethylphosphonic acid
CID 135566949
2-[bis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]amino]ethanol
CID 130419260
[3-[bis(2-hydroxyethyl)amino]propyl-(phosphonomethyl)amino]methylphosphonic acid
CID 87658738
2-[bis(2-hydroxyethyl)amino]ethanol;methylphosphonic acid
CID 160646043
2-[bis[2-[2-(2-aminoethoxy)ethoxy]ethyl]amino]ethanol
CID 59518679
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[2-(2-ethoxyethoxy)ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethanol
CID 90352000
2-[bis(2-propan-2-yloxyethyl)amino]ethanol
CID 138492031
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid?
The IUPAC name of 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid (CID 90013651) is 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid.
What is the SMILES notation for 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid?
The canonical SMILES for 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid is O=P(O)(O)CCN(CCO)CCOCP(=O)(O)O.
What is the InChIKey of 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid?
The InChIKey is RMLHQCNLHBQUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H19NO8P2/c9-4-1-8(3-6-17(10,11)12)2-5-16-7-18(13,14)15/h9H,1-7H2,(H2,10,11,12)(H2,13,14,15).
What are the key properties of 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid?
2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid has a molecular weight of 307.18 g/mol, XLogP of -1.39, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2-phosphonoethyl)amino]ethoxymethylphosphonic acid is sourced from PubChem (CID 90013651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).