[3-methoxypropyl(methyl)amino]phosphonic acid

C5H14NO4P — CID 88812930

IUPAC[3-methoxypropyl(methyl)amino]phosphonic acid
SMILESCOCCCN(C)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-6(11(7,8)9)4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyLPLKAVRLAJERIM-UHFFFAOYSA-N
MW183.14 g/mol
LogP0.05
Rot. Bonds5

About [3-methoxypropyl(methyl)amino]phosphonic acid

[3-methoxypropyl(methyl)amino]phosphonic acid (PubChem CID 88812930) has the molecular formula C5H14NO4P and a molecular weight of 183.14 g/mol. Its IUPAC name is [3-methoxypropyl(methyl)amino]phosphonic acid.

Molecular Properties

Compound Name[3-methoxypropyl(methyl)amino]phosphonic acid
PubChem CID88812930
Molecular FormulaC5H14NO4P
Molecular Weight183.14 g/mol
Exact Mass183.07
IUPAC Name[3-methoxypropyl(methyl)amino]phosphonic acid
SMILESCOCCCN(C)P(=O)(O)O
InChIInChI=1S/C5H14NO4P/c1-6(11(7,8)9)4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9)
InChIKeyLPLKAVRLAJERIM-UHFFFAOYSA-N
XLogP0.05
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(3-methoxy-3-oxopropyl)-methylamino]phosphonic acid
CID 88812958
3-[methyl(3-phosphonooxypropyl)amino]propyl dihydrogen phosphate
CID 58601805
N-dimethylphosphoryl-2-methoxy-N-methylethanamine
CID 118052342
N-(2-methoxyethyl)-N-(3-methoxypropyl)ethanesulfonamide
CID 64585942
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
1-(3-methoxypropyl)-1-sulfanylurea
CID 57174396
1-(dimethylamino)-6-methoxyhexan-3-one
CID 114854223
N-(3-methoxypropyl)-N-methylpentan-1-amine
CID 143723134
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448
4-[3-methoxypropyl(methyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76991887
3-[3-methoxypropyl(methyl)amino]-2,2-dimethylpropanoic acid
CID 63008833
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095

Frequently Asked Questions

What is the IUPAC name of [3-methoxypropyl(methyl)amino]phosphonic acid?
The IUPAC name of [3-methoxypropyl(methyl)amino]phosphonic acid (CID 88812930) is [3-methoxypropyl(methyl)amino]phosphonic acid.
What is the SMILES notation for [3-methoxypropyl(methyl)amino]phosphonic acid?
The canonical SMILES for [3-methoxypropyl(methyl)amino]phosphonic acid is COCCCN(C)P(=O)(O)O.
What is the InChIKey of [3-methoxypropyl(methyl)amino]phosphonic acid?
The InChIKey is LPLKAVRLAJERIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO4P/c1-6(11(7,8)9)4-3-5-10-2/h3-5H2,1-2H3,(H2,7,8,9).
What are the key properties of [3-methoxypropyl(methyl)amino]phosphonic acid?
[3-methoxypropyl(methyl)amino]phosphonic acid has a molecular weight of 183.14 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxypropyl(methyl)amino]phosphonic acid is sourced from PubChem (CID 88812930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).