(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid

C8H18NO5P — CID 88868590

IUPAC(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid
SMILESCC(=O)NCCC(O)CCOP(C)(=O)O
InChIInChI=1S/C8H18NO5P/c1-7(10)9-5-3-8(11)4-6-14-15(2,12)13/h8,11H,3-6H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyGBPFULJAMTZDMU-UHFFFAOYSA-N
MW239.21 g/mol
LogP0.10
Rot. Bonds7

About (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid

(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid (PubChem CID 88868590) has the molecular formula C8H18NO5P and a molecular weight of 239.21 g/mol. Its IUPAC name is (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid.

Molecular Properties

Compound Name(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid
PubChem CID88868590
Molecular FormulaC8H18NO5P
Molecular Weight239.21 g/mol
Exact Mass239.09
IUPAC Name(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid
SMILESCC(=O)NCCC(O)CCOP(C)(=O)O
InChIInChI=1S/C8H18NO5P/c1-7(10)9-5-3-8(11)4-6-14-15(2,12)13/h8,11H,3-6H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyGBPFULJAMTZDMU-UHFFFAOYSA-N
XLogP0.10
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid?
The IUPAC name of (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid (CID 88868590) is (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid.
What is the SMILES notation for (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid?
The canonical SMILES for (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid is CC(=O)NCCC(O)CCOP(C)(=O)O.
What is the InChIKey of (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid?
The InChIKey is GBPFULJAMTZDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO5P/c1-7(10)9-5-3-8(11)4-6-14-15(2,12)13/h8,11H,3-6H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid?
(5-acetamido-3-hydroxypentoxy)-methylphosphinic acid has a molecular weight of 239.21 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-3-hydroxypentoxy)-methylphosphinic acid is sourced from PubChem (CID 88868590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).