[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid

C5H12NO5P — CID 88812958

IUPAC[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
SMILESCOC(=O)CCN(C)P(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-6(12(8,9)10)4-3-5(7)11-2/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyAEKJZKRLEKNROB-UHFFFAOYSA-N
MW197.13 g/mol
LogP-0.43
Rot. Bonds4

About [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid

[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid (PubChem CID 88812958) has the molecular formula C5H12NO5P and a molecular weight of 197.13 g/mol. Its IUPAC name is [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid.

Molecular Properties

Compound Name[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
PubChem CID88812958
Molecular FormulaC5H12NO5P
Molecular Weight197.13 g/mol
Exact Mass197.05
IUPAC Name[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
SMILESCOC(=O)CCN(C)P(=O)(O)O
InChIInChI=1S/C5H12NO5P/c1-6(12(8,9)10)4-3-5(7)11-2/h3-4H2,1-2H3,(H2,8,9,10)
InChIKeyAEKJZKRLEKNROB-UHFFFAOYSA-N
XLogP-0.43
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.13
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-methoxy-3-oxopropyl)-methylamino]phosphonic 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

methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 60658617
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
CID 175531341
[3-methoxypropyl(methyl)amino]phosphonic acid
CID 88812930
methyl 3-[ethyl(hydroxy)amino]propanoate
CID 131223407
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
methyl 3-[dimethylsulfamoyl(methyl)amino]propanoate
CID 61072575
methyl 3-[(2-bromoacetyl)-methylamino]propanoate
CID 63679346
methyl 3-[4-aminobutyl(methyl)amino]propanoate
CID 63380446
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
methyl 6-[(6-methoxy-6-oxohexyl)-methylamino]hexanoate
CID 157418406

Frequently Asked Questions

What is the IUPAC name of [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid?
The IUPAC name of [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid (CID 88812958) is [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid.
What is the SMILES notation for [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid?
The canonical SMILES for [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid is COC(=O)CCN(C)P(=O)(O)O.
What is the InChIKey of [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid?
The InChIKey is AEKJZKRLEKNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO5P/c1-6(12(8,9)10)4-3-5(7)11-2/h3-4H2,1-2H3,(H2,8,9,10).
What are the key properties of [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid?
[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid has a molecular weight of 197.13 g/mol, XLogP of -0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid is sourced from PubChem (CID 88812958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).