[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid

C8H18NO7P — CID 154381766

About [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid

[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid (PubChem CID 154381766) has the molecular formula C8H18NO7P and a molecular weight of 271.21 g/mol. Its IUPAC name is [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid.

Molecular Properties

• Compound Name: [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid
• PubChem CID: 154381766
• Molecular Formula: C8H18NO7P
• Molecular Weight: 271.21 g/mol
• Exact Mass: 271.08
• IUPAC Name: [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid
• SMILES: O=C(CNCP(=O)(O)O)OCCCOCCO
• InChI: InChI=1S/C8H18NO7P/c10-2-5-15-3-1-4-16-8(11)6-9-7-17(12,13)14/h9-10H,1-7H2,(H2,12,13,14)
• InChIKey: VAYLCWMHQGVEDE-UHFFFAOYSA-N
• XLogP: -1.35
• TPSA: 125.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	271.21
LogP ≤ 5	-1.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid?

The IUPAC name of [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid (CID 154381766) is [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid.

What is the SMILES notation for [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid?

The canonical SMILES for [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid is O=C(CNCP(=O)(O)O)OCCCOCCO.

What is the InChIKey of [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid?

The InChIKey is VAYLCWMHQGVEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO7P/c10-2-5-15-3-1-4-16-8(11)6-9-7-17(12,13)14/h9-10H,1-7H2,(H2,12,13,14).

What are the key properties of [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid?

[[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid has a molecular weight of 271.21 g/mol, XLogP of -1.35, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [[2-[3-(2-hydroxyethoxy)propoxy]-2-oxoethyl]amino]methylphosphonic acid is sourced from PubChem (CID 154381766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).