ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid

C7H14NO4P — CID 141199331

IUPACethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid
SMILESC=CC(=O)N(C)CP(=O)(O)OCC
InChIInChI=1S/C7H14NO4P/c1-4-7(9)8(3)6-13(10,11)12-5-2/h4H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyKTSUMICAWKGJDI-UHFFFAOYSA-N
MW207.17 g/mol
LogP0.81
Rot. Bonds5

About ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid

ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid (PubChem CID 141199331) has the molecular formula C7H14NO4P and a molecular weight of 207.17 g/mol. Its IUPAC name is ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid
PubChem CID141199331
Molecular FormulaC7H14NO4P
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Nameethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid
SMILESC=CC(=O)N(C)CP(=O)(O)OCC
InChIInChI=1S/C7H14NO4P/c1-4-7(9)8(3)6-13(10,11)12-5-2/h4H,1,5-6H2,2-3H3,(H,10,11)
InChIKeyKTSUMICAWKGJDI-UHFFFAOYSA-N
XLogP0.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
1-[methyl(prop-2-enoyl)amino]hexan-3-ylphosphonic acid
CID 90826851
N-methyl-N-[3-[methyl(prop-2-enoyl)amino]propyl]prop-2-enamide
CID 59017028
N-methyl-N-(sulfanylmethyl)prop-2-enamide
CID 170148935
ethyl dihydrogen phosphate;methyl prop-2-enoate
CID 158276127
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
methyl N-(diethoxyphosphorylmethyl)-N-methylcarbamate
CID 12711206
CID 87274277
CID 87274277
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858
1-(dimethylamino)ethenyl-ethoxyphosphinic acid
CID 88843519
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986

Frequently Asked Questions

What is the IUPAC name of ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid?
The IUPAC name of ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid (CID 141199331) is ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid?
The canonical SMILES for ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid is C=CC(=O)N(C)CP(=O)(O)OCC.
What is the InChIKey of ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid?
The InChIKey is KTSUMICAWKGJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO4P/c1-4-7(9)8(3)6-13(10,11)12-5-2/h4H,1,5-6H2,2-3H3,(H,10,11).
What are the key properties of ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid?
ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid has a molecular weight of 207.17 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[[methyl(prop-2-enoyl)amino]methyl]phosphinic acid is sourced from PubChem (CID 141199331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).