hydroxy-[2-(methylazaniumyl)ethyl]phosphinate

C3H10NO3P — CID 12557407

IUPAChydroxy-[2-(methylazaniumyl)ethyl]phosphinate
SMILESC[NH2+]CCP(=O)([O-])O
InChIInChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKeyKMMKKNKMHUQJAW-UHFFFAOYSA-N
MW139.09 g/mol
LogP-2.27
Rot. Bonds3

About hydroxy-[2-(methylazaniumyl)ethyl]phosphinate

hydroxy-[2-(methylazaniumyl)ethyl]phosphinate (PubChem CID 12557407) has the molecular formula C3H10NO3P and a molecular weight of 139.09 g/mol. Its IUPAC name is hydroxy-[2-(methylazaniumyl)ethyl]phosphinate.

Molecular Properties

Compound Namehydroxy-[2-(methylazaniumyl)ethyl]phosphinate
PubChem CID12557407
Molecular FormulaC3H10NO3P
Molecular Weight139.09 g/mol
Exact Mass139.04
IUPAC Namehydroxy-[2-(methylazaniumyl)ethyl]phosphinate
SMILESC[NH2+]CCP(=O)([O-])O
InChIInChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
InChIKeyKMMKKNKMHUQJAW-UHFFFAOYSA-N
XLogP-2.27
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.09
LogP ≤ 5-2.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hydroxy-[2-(methylazaniumyl)ethyl]phosphinate?
The IUPAC name of hydroxy-[2-(methylazaniumyl)ethyl]phosphinate (CID 12557407) is hydroxy-[2-(methylazaniumyl)ethyl]phosphinate.
What is the SMILES notation for hydroxy-[2-(methylazaniumyl)ethyl]phosphinate?
The canonical SMILES for hydroxy-[2-(methylazaniumyl)ethyl]phosphinate is C[NH2+]CCP(=O)([O-])O.
What is the InChIKey of hydroxy-[2-(methylazaniumyl)ethyl]phosphinate?
The InChIKey is KMMKKNKMHUQJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10NO3P/c1-4-2-3-8(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7).
What are the key properties of hydroxy-[2-(methylazaniumyl)ethyl]phosphinate?
hydroxy-[2-(methylazaniumyl)ethyl]phosphinate has a molecular weight of 139.09 g/mol, XLogP of -2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-(methylazaniumyl)ethyl]phosphinate is sourced from PubChem (CID 12557407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).