1-aminoethylphosphinic acid

C2H8NO2P — CID 3018298

IUPAC1-aminoethylphosphinic acid
SMILESCC(N)[PH](=O)O
InChIInChI=1S/C2H8NO2P/c1-2(3)6(4)5/h2,6H,3H2,1H3,(H,4,5)
InChIKeyTVKUNRSARHGLNB-UHFFFAOYSA-N
MW109.06 g/mol
LogP-0.24
Rot. Bonds1

About 1-aminoethylphosphinic acid

1-aminoethylphosphinic acid (PubChem CID 3018298) has the molecular formula C2H8NO2P and a molecular weight of 109.06 g/mol. Its IUPAC name is 1-aminoethylphosphinic acid.

Molecular Properties

Compound Name1-aminoethylphosphinic acid
PubChem CID3018298
Molecular FormulaC2H8NO2P
Molecular Weight109.06 g/mol
Exact Mass109.03
IUPAC Name1-aminoethylphosphinic acid
SMILESCC(N)[PH](=O)O
InChIInChI=1S/C2H8NO2P/c1-2(3)6(4)5/h2,6H,3H2,1H3,(H,4,5)
InChIKeyTVKUNRSARHGLNB-UHFFFAOYSA-N
XLogP-0.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.06
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-Aminoethyl)phosphonic acid
CID 339
(3-Aminopropyl)methylphosphinic acid
CID 5230
Hydrogen (2-azaniumylethyl)phosphonate
CID 5245507
3-Aminopropylphosphonic acid
CID 97587
Ampropylfos
CID 178368
Lesogaberan
CID 16686147
1-Aminobutylphosphonic acid
CID 272986
1-(Aminoethyl)phosphonic acid
CID 97709
(3-Aminopropyl)phosphonate
CID 4868255
3-Appa
CID 6335948
1-Aminoethylphosphonic acid, (R)-
CID 185992
(S)-(1-aminoethyl)phosphonic acid
CID 181769

Frequently Asked Questions

What is the IUPAC name of 1-aminoethylphosphinic acid?
The IUPAC name of 1-aminoethylphosphinic acid (CID 3018298) is 1-aminoethylphosphinic acid.
What is the SMILES notation for 1-aminoethylphosphinic acid?
The canonical SMILES for 1-aminoethylphosphinic acid is CC(N)[PH](=O)O.
What is the InChIKey of 1-aminoethylphosphinic acid?
The InChIKey is TVKUNRSARHGLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8NO2P/c1-2(3)6(4)5/h2,6H,3H2,1H3,(H,4,5).
What are the key properties of 1-aminoethylphosphinic acid?
1-aminoethylphosphinic acid has a molecular weight of 109.06 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethylphosphinic acid is sourced from PubChem (CID 3018298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).