ethoxy(methylaminomethyl)phosphinic acid

C4H12NO3P — CID 88509213

IUPACethoxy(methylaminomethyl)phosphinic acid
SMILESCCOP(=O)(O)CNC
InChIInChI=1S/C4H12NO3P/c1-3-8-9(6,7)4-5-2/h5H,3-4H2,1-2H3,(H,6,7)
InChIKeySNCFNDWULSIASU-UHFFFAOYSA-N
MW153.12 g/mol
LogP0.39
Rot. Bonds4

About ethoxy(methylaminomethyl)phosphinic acid

ethoxy(methylaminomethyl)phosphinic acid (PubChem CID 88509213) has the molecular formula C4H12NO3P and a molecular weight of 153.12 g/mol. Its IUPAC name is ethoxy(methylaminomethyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(methylaminomethyl)phosphinic acid
PubChem CID88509213
Molecular FormulaC4H12NO3P
Molecular Weight153.12 g/mol
Exact Mass153.06
IUPAC Nameethoxy(methylaminomethyl)phosphinic acid
SMILESCCOP(=O)(O)CNC
InChIInChI=1S/C4H12NO3P/c1-3-8-9(6,7)4-5-2/h5H,3-4H2,1-2H3,(H,6,7)
InChIKeySNCFNDWULSIASU-UHFFFAOYSA-N
XLogP0.39
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.12
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetamidomethyl(ethoxy)phosphinic acid
CID 14132628
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
ethoxy-N-methylphosphonamidic acid
CID 20842965
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(cyclohexylamino)methyl-ethoxyphosphinic acid
CID 88509490
CID 87274277
CID 87274277
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541

Frequently Asked Questions

What is the IUPAC name of ethoxy(methylaminomethyl)phosphinic acid?
The IUPAC name of ethoxy(methylaminomethyl)phosphinic acid (CID 88509213) is ethoxy(methylaminomethyl)phosphinic acid.
What is the SMILES notation for ethoxy(methylaminomethyl)phosphinic acid?
The canonical SMILES for ethoxy(methylaminomethyl)phosphinic acid is CCOP(=O)(O)CNC.
What is the InChIKey of ethoxy(methylaminomethyl)phosphinic acid?
The InChIKey is SNCFNDWULSIASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3P/c1-3-8-9(6,7)4-5-2/h5H,3-4H2,1-2H3,(H,6,7).
What are the key properties of ethoxy(methylaminomethyl)phosphinic acid?
ethoxy(methylaminomethyl)phosphinic acid has a molecular weight of 153.12 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(methylaminomethyl)phosphinic acid is sourced from PubChem (CID 88509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).