[1-amino-2-(methylamino)ethyl]phosphonic acid

C3H11N2O3P — CID 15849848

IUPAC[1-amino-2-(methylamino)ethyl]phosphonic acid
SMILESCNCC(N)P(=O)(O)O
InChIInChI=1S/C3H11N2O3P/c1-5-2-3(4)9(6,7)8/h3,5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyZQVMIWFDBJSLTM-UHFFFAOYSA-N
MW154.11 g/mol
LogP-1.33
Rot. Bonds3

About [1-amino-2-(methylamino)ethyl]phosphonic acid

[1-amino-2-(methylamino)ethyl]phosphonic acid (PubChem CID 15849848) has the molecular formula C3H11N2O3P and a molecular weight of 154.11 g/mol. Its IUPAC name is [1-amino-2-(methylamino)ethyl]phosphonic acid.

Molecular Properties

Compound Name[1-amino-2-(methylamino)ethyl]phosphonic acid
PubChem CID15849848
Molecular FormulaC3H11N2O3P
Molecular Weight154.11 g/mol
Exact Mass154.05
IUPAC Name[1-amino-2-(methylamino)ethyl]phosphonic acid
SMILESCNCC(N)P(=O)(O)O
InChIInChI=1S/C3H11N2O3P/c1-5-2-3(4)9(6,7)8/h3,5H,2,4H2,1H3,(H2,6,7,8)
InChIKeyZQVMIWFDBJSLTM-UHFFFAOYSA-N
XLogP-1.33
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 5-1.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-amino-2-(methylamino)ethyl]phosphonic acid?
The IUPAC name of [1-amino-2-(methylamino)ethyl]phosphonic acid (CID 15849848) is [1-amino-2-(methylamino)ethyl]phosphonic acid.
What is the SMILES notation for [1-amino-2-(methylamino)ethyl]phosphonic acid?
The canonical SMILES for [1-amino-2-(methylamino)ethyl]phosphonic acid is CNCC(N)P(=O)(O)O.
What is the InChIKey of [1-amino-2-(methylamino)ethyl]phosphonic acid?
The InChIKey is ZQVMIWFDBJSLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N2O3P/c1-5-2-3(4)9(6,7)8/h3,5H,2,4H2,1H3,(H2,6,7,8).
What are the key properties of [1-amino-2-(methylamino)ethyl]phosphonic acid?
[1-amino-2-(methylamino)ethyl]phosphonic acid has a molecular weight of 154.11 g/mol, XLogP of -1.33, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-2-(methylamino)ethyl]phosphonic acid is sourced from PubChem (CID 15849848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).