aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid

C5H12NO4P — CID 15757545

IUPACaminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
SMILESCOC(=O)CCP(=O)(O)CN
InChIInChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9)
InChIKeyBLFRMSYIFJIMLV-UHFFFAOYSA-N
MW181.13 g/mol
LogP-0.26
Rot. Bonds4

About aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid

aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid (PubChem CID 15757545) has the molecular formula C5H12NO4P and a molecular weight of 181.13 g/mol. Its IUPAC name is aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid.

Molecular Properties

Compound Nameaminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
PubChem CID15757545
Molecular FormulaC5H12NO4P
Molecular Weight181.13 g/mol
Exact Mass181.05
IUPAC Nameaminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid
SMILESCOC(=O)CCP(=O)(O)CN
InChIInChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9)
InChIKeyBLFRMSYIFJIMLV-UHFFFAOYSA-N
XLogP-0.26
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethoxymethyl-(3-methoxy-3-oxopropyl)phosphinic acid
CID 175420314
methyl 4-aminobutanoate;dihydrochloride
CID 170991800
sodium hydroxy-(4-methoxy-4-oxobutanoyl)phosphinate
CID 88728962
[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
CID 88812958
methyl 5-amino-4-oxopentanoate chloride
CID 53313200
methyl 10-aminodecanoate
CID 10655700
(3-methoxy-3-oxopropyl)-[3-[1-(methylamino)hexylamino]-3-oxopropyl]phosphinic acid
CID 143623798
methyl 3-[methyl(2-methylpropoxy)phosphoryl]propanoate
CID 11862228
(5-methoxy-2-methoxycarbonyl-5-oxopentyl)phosphonic acid
CID 118871938
dimethyl pentanedioate;hydrochloride
CID 175168861
(7-methoxy-2,7-dioxoheptyl)phosphonic acid
CID 21497644
methyl 4-oxo-5-phosphonooxypentanoate
CID 132838497

Frequently Asked Questions

What is the IUPAC name of aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The IUPAC name of aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid (CID 15757545) is aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid.
What is the SMILES notation for aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The canonical SMILES for aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid is COC(=O)CCP(=O)(O)CN.
What is the InChIKey of aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
The InChIKey is BLFRMSYIFJIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO4P/c1-10-5(7)2-3-11(8,9)4-6/h2-4,6H2,1H3,(H,8,9).
What are the key properties of aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid?
aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid has a molecular weight of 181.13 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl-(3-methoxy-3-oxopropyl)phosphinic acid is sourced from PubChem (CID 15757545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).