acetamidomethyl(ethoxy)phosphinic acid

C5H12NO4P — CID 14132628

IUPACacetamidomethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)CNC(C)=O
InChIInChI=1S/C5H12NO4P/c1-3-10-11(8,9)4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)(H,8,9)
InChIKeyOXPSLAAPVPEGCG-UHFFFAOYSA-N
MW181.13 g/mol
LogP0.30
Rot. Bonds4

About acetamidomethyl(ethoxy)phosphinic acid

acetamidomethyl(ethoxy)phosphinic acid (PubChem CID 14132628) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is acetamidomethyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameacetamidomethyl(ethoxy)phosphinic acid
PubChem CID14132628
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Nameacetamidomethyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)CNC(C)=O
InChIInChI=1S/C5H12NO4P/c1-3-10-11(8,9)4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)(H,8,9)
InChIKeyOXPSLAAPVPEGCG-UHFFFAOYSA-N
XLogP0.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 50.30
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

ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
acetamidomethylphosphonic acid
CID 3017080
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
(cyclohexylamino)methyl-ethoxyphosphinic acid
CID 88509490
CID 87274277
CID 87274277
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
acetic acid;triethyl phosphate
CID 161446956
butane;ethoxy(hexyl)phosphinic acid
CID 174841560
sodium;acetic acid;diethyl hydrogen phosphate;hydride
CID 175141912

Frequently Asked Questions

What is the IUPAC name of acetamidomethyl(ethoxy)phosphinic acid?
The IUPAC name of acetamidomethyl(ethoxy)phosphinic acid (CID 14132628) is acetamidomethyl(ethoxy)phosphinic acid.
What is the SMILES notation for acetamidomethyl(ethoxy)phosphinic acid?
The canonical SMILES for acetamidomethyl(ethoxy)phosphinic acid is CCOP(=O)(O)CNC(C)=O.
What is the InChIKey of acetamidomethyl(ethoxy)phosphinic acid?
The InChIKey is OXPSLAAPVPEGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-3-10-11(8,9)4-6-5(2)7/h3-4H2,1-2H3,(H,6,7)(H,8,9).
What are the key properties of acetamidomethyl(ethoxy)phosphinic acid?
acetamidomethyl(ethoxy)phosphinic acid has a molecular weight of 181.13 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetamidomethyl(ethoxy)phosphinic acid is sourced from PubChem (CID 14132628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).