aminomethyl(methyl)phosphinic acid;methylphosphonic acid

C3H13NO5P2 — CID 158616080

IUPACaminomethyl(methyl)phosphinic acid;methylphosphonic acid
SMILESCP(=O)(O)CN.CP(=O)(O)O
InChIInChI=1S/C2H8NO2P.CH5O3P/c1-6(4,5)2-3;1-5(2,3)4/h2-3H2,1H3,(H,4,5);1H3,(H2,2,3,4)
InChIKeyHXKDKQXGNHSHFB-UHFFFAOYSA-N
MW205.09 g/mol
LogP-0.40
Rot. Bonds1

About aminomethyl(methyl)phosphinic acid;methylphosphonic acid

aminomethyl(methyl)phosphinic acid;methylphosphonic acid (PubChem CID 158616080) has the molecular formula C3H13NO5P2 and a molecular weight of 205.09 g/mol. Its IUPAC name is aminomethyl(methyl)phosphinic acid;methylphosphonic acid.

Molecular Properties

Compound Nameaminomethyl(methyl)phosphinic acid;methylphosphonic acid
PubChem CID158616080
Molecular FormulaC3H13NO5P2
Molecular Weight205.09 g/mol
Exact Mass205.03
IUPAC Nameaminomethyl(methyl)phosphinic acid;methylphosphonic acid
SMILESCP(=O)(O)CN.CP(=O)(O)O
InChIInChI=1S/C2H8NO2P.CH5O3P/c1-6(4,5)2-3;1-5(2,3)4/h2-3H2,1H3,(H,4,5);1H3,(H2,2,3,4)
InChIKeyHXKDKQXGNHSHFB-UHFFFAOYSA-N
XLogP-0.40
TPSA120.85 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 5-0.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diamine;methylphosphonic acid
CID 19349473
aminomethyl(methyl)phosphinic acid;butan-1-amine
CID 139413899
sodium;carbanide;methylphosphonic acid
CID 157106296
aminophosphonic acid;methylphosphonic acid
CID 87311898
methylphosphonic acid;uranium
CID 174844261
methylphosphonic acid;dihydrochloride
CID 87344491
aminomethylphosphonic acid;hydrate
CID 172785575
[hydroxy(methyl)phosphoryl]methyl-methylphosphinic acid
CID 12654621
aminomethylphosphonic acid;azane
CID 173452353
N'-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine;methylphosphonic acid
CID 162177359
3-aminopropyl(methyl)phosphinic acid chloride
CID 53346869
aminomethyl(tert-butyl)phosphinic acid
CID 14024293

Frequently Asked Questions

What is the IUPAC name of aminomethyl(methyl)phosphinic acid;methylphosphonic acid?
The IUPAC name of aminomethyl(methyl)phosphinic acid;methylphosphonic acid (CID 158616080) is aminomethyl(methyl)phosphinic acid;methylphosphonic acid.
What is the SMILES notation for aminomethyl(methyl)phosphinic acid;methylphosphonic acid?
The canonical SMILES for aminomethyl(methyl)phosphinic acid;methylphosphonic acid is CP(=O)(O)CN.CP(=O)(O)O.
What is the InChIKey of aminomethyl(methyl)phosphinic acid;methylphosphonic acid?
The InChIKey is HXKDKQXGNHSHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2P.CH5O3P/c1-6(4,5)2-3;1-5(2,3)4/h2-3H2,1H3,(H,4,5);1H3,(H2,2,3,4).
What are the key properties of aminomethyl(methyl)phosphinic acid;methylphosphonic acid?
aminomethyl(methyl)phosphinic acid;methylphosphonic acid has a molecular weight of 205.09 g/mol, XLogP of -0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminomethyl(methyl)phosphinic acid;methylphosphonic acid is sourced from PubChem (CID 158616080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).