2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate

C7H14NO3P — CID 172696241

IUPAC2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate
SMILESC#CC[N+](C)(C)CCP(=O)([O-])O
InChIInChI=1S/C7H14NO3P/c1-4-5-8(2,3)6-7-12(9,10)11/h1H,5-7H2,2-3H3,(H-,9,10,11)
InChIKeyCIWORAALABKFCP-UHFFFAOYSA-N
MW191.17 g/mol
LogP-0.76
Rot. Bonds4

About 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate

2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate (PubChem CID 172696241) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate.

Molecular Properties

Compound Name2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate
PubChem CID172696241
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC Name2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate
SMILESC#CC[N+](C)(C)CCP(=O)([O-])O
InChIInChI=1S/C7H14NO3P/c1-4-5-8(2,3)6-7-12(9,10)11/h1H,5-7H2,2-3H3,(H-,9,10,11)
InChIKeyCIWORAALABKFCP-UHFFFAOYSA-N
XLogP-0.76
TPSA60.36 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

hydroxy-[2-(trimethylazaniumyl)ethyl]phosphinate
CID 4242130
32-[2-[dimethyl(prop-2-ynyl)azaniumyl]ethoxy-oxidophosphoryl]oxydotriacontyl 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl phosphate
CID 177407453
2-acetyloxyethyl-dimethyl-prop-2-ynylazanium
CID 546954
2-[dimethyl(2-prop-2-enoyloxyethyl)azaniumyl]ethyl-hydroxyphosphinate
CID 172841486
2-[2-[dimethyl(2-phosphonatoethyl)azaniumyl]ethyl-methylazaniumyl]ethyl-hydroxyphosphinate iodide
CID 23422714
dimethyl-prop-2-ynyl-(3-sulfopropyl)azanium iodide
CID 146629341
hydroxy-[2-[2-(trimethylazaniumyl)ethoxy]ethyl]phosphinate
CID 172848075
dimethyl-octadecyl-prop-2-ynylazanium
CID 14625652
difluoroboranylmethyl-dimethyl-prop-2-ynylazanium
CID 123782012
2-hydroxyprop-2-enyl-dimethyl-prop-2-ynylazanium
CID 155792295
hydrogen phosphate;bis(tetramethylazanium)
CID 14746851
hydroxy(2-hydroxyethyl)phosphinate
CID 25246079

Frequently Asked Questions

What is the IUPAC name of 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate?
The IUPAC name of 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate (CID 172696241) is 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate.
What is the SMILES notation for 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate?
The canonical SMILES for 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate is C#CC[N+](C)(C)CCP(=O)([O-])O.
What is the InChIKey of 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate?
The InChIKey is CIWORAALABKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-4-5-8(2,3)6-7-12(9,10)11/h1H,5-7H2,2-3H3,(H-,9,10,11).
What are the key properties of 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate?
2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate has a molecular weight of 191.17 g/mol, XLogP of -0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethyl(prop-2-ynyl)azaniumyl]ethyl-hydroxyphosphinate is sourced from PubChem (CID 172696241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).