[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid

C12H18NO6P — CID 102076631

IUPAC[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
SMILESCCOC(=O)NC(c1ccc(OC)cc1)P(=O)(O)OC
InChIInChI=1S/C12H18NO6P/c1-4-19-12(14)13-11(20(15,16)18-3)9-5-7-10(17-2)8-6-9/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyYJZOTKJQOYDWBE-UHFFFAOYSA-N
MW303.25 g/mol
LogP2.27
Rot. Bonds6

About [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid

[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid (PubChem CID 102076631) has the molecular formula C12H18NO6P and a molecular weight of 303.25 g/mol. Its IUPAC name is [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid.

Molecular Properties

Compound Name[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
PubChem CID102076631
Molecular FormulaC12H18NO6P
Molecular Weight303.25 g/mol
Exact Mass303.09
IUPAC Name[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid
SMILESCCOC(=O)NC(c1ccc(OC)cc1)P(=O)(O)OC
InChIInChI=1S/C12H18NO6P/c1-4-19-12(14)13-11(20(15,16)18-3)9-5-7-10(17-2)8-6-9/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyYJZOTKJQOYDWBE-UHFFFAOYSA-N
XLogP2.27
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic 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-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]phosphinic acid
CID 102076632
diethyl 2-[(S)-(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]propanedioate
CID 7323007
2-[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-3-methylbutanoic acid
CID 53405903
ethyl N-[1-(4-methoxyphenyl)-3-oxo-3-phenylpropyl]carbamate
CID 86017823
ethyl 2-(4-methoxyphenyl)-2-(propylamino)acetate
CID 60795637
ethyl N-[(1R,2R)-2-bromo-1-(4-methoxyphenyl)-2-nitropropyl]carbamate
CID 56652475
ethyl N-[2-benzoyl-3-hydroxy-1-(4-methoxyphenyl)-3-phenylprop-2-enyl]carbamate
CID 4224876
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
ethyl (2S)-2-diethoxyphosphoryl-2-(4-methoxyphenyl)acetate
CID 125466938
ethyl 2-(4-methoxyphenyl)-3-methylbutanoate
CID 62395214
tetraethyl (2R,3S)-2,3-bis(4-methoxyphenyl)butane-1,1,4,4-tetracarboxylate
CID 10602909
diethyl 2-[acetamido-(4-methoxyphenyl)methyl]-2-ethylpropanedioate
CID 3786807

Frequently Asked Questions

What is the IUPAC name of [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The IUPAC name of [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid (CID 102076631) is [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid.
What is the SMILES notation for [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The canonical SMILES for [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid is CCOC(=O)NC(c1ccc(OC)cc1)P(=O)(O)OC.
What is the InChIKey of [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
The InChIKey is YJZOTKJQOYDWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO6P/c1-4-19-12(14)13-11(20(15,16)18-3)9-5-7-10(17-2)8-6-9/h5-8,11H,4H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid?
[(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid has a molecular weight of 303.25 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(ethoxycarbonylamino)-(4-methoxyphenyl)methyl]-methoxyphosphinic acid is sourced from PubChem (CID 102076631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).