2-(ethylideneamino)oxyethoxy-methylphosphinic acid

C5H12NO4P — CID 59073323

IUPAC2-(ethylideneamino)oxyethoxy-methylphosphinic acid
SMILESCC=NOCCOP(C)(=O)O
InChIInChI=1S/C5H12NO4P/c1-3-6-9-4-5-10-11(2,7)8/h3H,4-5H2,1-2H3,(H,7,8)
InChIKeyFMGWHGNDIOGMFI-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.84
Rot. Bonds5

About 2-(ethylideneamino)oxyethoxy-methylphosphinic acid

2-(ethylideneamino)oxyethoxy-methylphosphinic acid (PubChem CID 59073323) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is 2-(ethylideneamino)oxyethoxy-methylphosphinic acid.

Molecular Properties

Compound Name2-(ethylideneamino)oxyethoxy-methylphosphinic acid
PubChem CID59073323
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Name2-(ethylideneamino)oxyethoxy-methylphosphinic acid
SMILESCC=NOCCOP(C)(=O)O
InChIInChI=1S/C5H12NO4P/c1-3-6-9-4-5-10-11(2,7)8/h3H,4-5H2,1-2H3,(H,7,8)
InChIKeyFMGWHGNDIOGMFI-UHFFFAOYSA-N
XLogP0.84
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'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 2-(ethylideneamino)oxyethoxy-methylphosphinic acid?
The IUPAC name of 2-(ethylideneamino)oxyethoxy-methylphosphinic acid (CID 59073323) is 2-(ethylideneamino)oxyethoxy-methylphosphinic acid.
What is the SMILES notation for 2-(ethylideneamino)oxyethoxy-methylphosphinic acid?
The canonical SMILES for 2-(ethylideneamino)oxyethoxy-methylphosphinic acid is CC=NOCCOP(C)(=O)O.
What is the InChIKey of 2-(ethylideneamino)oxyethoxy-methylphosphinic acid?
The InChIKey is FMGWHGNDIOGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-3-6-9-4-5-10-11(2,7)8/h3H,4-5H2,1-2H3,(H,7,8).
What are the key properties of 2-(ethylideneamino)oxyethoxy-methylphosphinic acid?
2-(ethylideneamino)oxyethoxy-methylphosphinic acid has a molecular weight of 181.13 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylideneamino)oxyethoxy-methylphosphinic acid is sourced from PubChem (CID 59073323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).